1-(dimethylcarbamoyl)-4-(2-sulfoethyl)pyridin-1-ium

1-(dimethylcarbamoyl)-4-(2-sulfoethyl)pyridin-1-ium

CAS: 136997-71-2

Formula: C10H15N2O4S

SMILES: CN(C)C(=O)[N+]1=CC=C(CCS(O)(=O)=O)C=C1

IUPAC: 1-(dimethylcarbamoyl)-4-(2-sulfoethyl)pyridin-1-ium

InChI: InChI=1S/C10H14N2O4S/c1-11(2)10(13)12-6-3-9(4-7-12)5-8-17(14,15)16/h3-4,6-7H,5,8H2,1-2H3/p+1

Composition: C (46.32%), H (5.83%), N (10.80%), O (24.68%), S (12.36%)

Molar Mass: 259.3

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.074704565
Formal Charge	1
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SJHHXGGXZKPIDE-UHFFFAOYSA-O
Lipinski's Rule of Five	1
Molar Refractivity	62.87
Topological Polar Surface Area	78.56
Polarizability	24.61
Ring Count	1
Rotatable Bond Count	3

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