3-{[3-(diethylamino)propyl]amino}-4-hydroxy-1??-thiolane-1,1-dione hydrochloride

3-{[3-(diethylamino)propyl]amino}-4-hydroxy-1??-thiolane-1,1-dione hydrochloride

CAS: 1185298-91-2

Formula: C11H25ClN2O3S

SMILES: Cl.CCN(CC)CCCNC1CS(=O)(=O)CC1O

IUPAC: 3-{[3-(diethylamino)propyl]amino}-4-hydroxy-1??-thiolane-1,1-dione hydrochloride

InChI: InChI=1/C11H24N2O3S.ClH/c1-3-13(4-2)7-5-6-12-10-8-17(15,16)9-11(10)14;/h10-12,14H,3-9H2,1-2H3;1H

Composition: C (43.92%), H (8.38%), Cl (11.78%), N (9.31%), O (15.95%), S (10.66%)

Molar Mass: 300.84

Atom Count: 43

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	300.1274415
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	UBLTXHMIKRDMJM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.31
Topological Polar Surface Area	69.64
Polarizability	28.13
Ring Count	1
Rotatable Bond Count	7

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