tert-butyl (4S)-4-methyl-2,2-dioxo-1,2??,3-oxathiazinane-3-carboxylate

tert-butyl (4S)-4-methyl-2,2-dioxo-1,2??,3-oxathiazinane-3-carboxylate

CAS: 1850305-51-9

Formula: C9H17NO5S

SMILES: C[C@H]1CCOS(=O)(=O)N1C(=O)OC(C)(C)C

IUPAC: tert-butyl (4S)-4-methyl-2,2-dioxo-1,2??,3-oxathiazinane-3-carboxylate

InChI: InChI=1S/C9H17NO5S/c1-7-5-6-14-16(12,13)10(7)8(11)15-9(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1

Composition: C (43.02%), H (6.82%), N (5.57%), O (31.83%), S (12.76%)

Molar Mass: 251.3

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	251.082743825
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BUKLBVNCVKRWDW-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57
Topological Polar Surface Area	72.91
Polarizability	23.51
Ring Count	1
Rotatable Bond Count	2

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