N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide

C14H19N3O2S2 — CID 103306549

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCc1sccc1C
InChIInChI=1S/C14H19N3O2S2/c1-3-7-15-12-5-4-8-16-14(12)21(18,19)17-10-13-11(2)6-9-20-13/h4-6,8-9,15,17H,3,7,10H2,1-2H3
InChIKeyQQEFLGJSMVHMJQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.75
Rot. Bonds7

About N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide

N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide (PubChem CID 103306549) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
PubChem CID103306549
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCc1sccc1C
InChIInChI=1S/C14H19N3O2S2/c1-3-7-15-12-5-4-8-16-14(12)21(18,19)17-10-13-11(2)6-9-20-13/h4-6,8-9,15,17H,3,7,10H2,1-2H3
InChIKeyQQEFLGJSMVHMJQ-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306623
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242
N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304982
N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N,N-diethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303638

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide (CID 103306549) is N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NCc1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide?
The InChIKey is QQEFLGJSMVHMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-3-7-15-12-5-4-8-16-14(12)21(18,19)17-10-13-11(2)6-9-20-13/h4-6,8-9,15,17H,3,7,10H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide?
N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-(propylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).