3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide

C12H18N6O2S — CID 103306242

IUPAC3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H18N6O2S/c1-2-6-13-10-4-3-7-14-12(10)21(19,20)17-8-5-11-15-9-16-18-11/h3-4,7,9,13,17H,2,5-6,8H2,1H3,(H,15,16,18)
InChIKeyIMOFPRHOGNZOIA-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.54
Rot. Bonds8

About 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide

3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 103306242) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
PubChem CID103306242
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
SMILESCCCNc1cccnc1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H18N6O2S/c1-2-6-13-10-4-3-7-14-12(10)21(19,20)17-8-5-11-15-9-16-18-11/h3-4,7,9,13,17H,2,5-6,8H2,1H3,(H,15,16,18)
InChIKeyIMOFPRHOGNZOIA-UHFFFAOYSA-N
XLogP0.54
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103306246
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
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
2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 64523776
2-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 64529869
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(1,2-oxazol-3-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306623
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 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide (CID 103306242) is 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide is CCCNc1cccnc1S(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is IMOFPRHOGNZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-2-6-13-10-4-3-7-14-12(10)21(19,20)17-8-5-11-15-9-16-18-11/h3-4,7,9,13,17H,2,5-6,8H2,1H3,(H,15,16,18).
What are the key properties of 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide?
3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103306242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).