6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide

C15H16N4O2S2 — CID 9030415

IUPAC6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C15H16N4O2S2/c1-10(15-18-12-5-3-4-6-13(12)22-15)19(2)14-8-7-11(9-17-14)23(16,20)21/h3-10H,1-2H3,(H2,16,20,21)/t10-/m1/s1
InChIKeyUSURKIIHGWKERZ-SNVBAGLBSA-N
MW348.45 g/mol
LogP2.54
Rot. Bonds4

About 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide

6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide (PubChem CID 9030415) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide
PubChem CID9030415
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C15H16N4O2S2/c1-10(15-18-12-5-3-4-6-13(12)22-15)19(2)14-8-7-11(9-17-14)23(16,20)21/h3-10H,1-2H3,(H2,16,20,21)/t10-/m1/s1
InChIKeyUSURKIIHGWKERZ-SNVBAGLBSA-N
XLogP2.54
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9030317
4-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-3-nitrobenzenesulfonamide
CID 9025721
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-bromo-N-methylbenzenesulfonamide
CID 8801960
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 8802002
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-nitrobenzenesulfonamide
CID 8801949
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2,6-dichloro-N-methylbenzenesulfonamide
CID 8802123
3-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylbenzenesulfonamide
CID 46452847
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride
CID 120564311
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 8802221
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2,4-dinitroaniline
CID 9025714
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N,2,5-trimethylbenzenesulfonamide
CID 8802278

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide?
The IUPAC name of 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide (CID 9030415) is 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide is C[C@H](c1nc2ccccc2s1)N(C)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide?
The InChIKey is USURKIIHGWKERZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-10(15-18-12-5-3-4-6-13(12)22-15)19(2)14-8-7-11(9-17-14)23(16,20)21/h3-10H,1-2H3,(H2,16,20,21)/t10-/m1/s1.
What are the key properties of 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide?
6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 9030415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).