N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide

C12H17N5O2S — CID 125436272

IUPACN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C
InChIInChI=1S/C12H17N5O2S/c1-9(2)11(12-14-8-15-17(12)3)16-20(18,19)10-5-4-6-13-7-10/h4-9,11,16H,1-3H3/t11-/m0/s1
InChIKeyUJPGKAQMDROQLS-NSHDSACASA-N
MW295.37 g/mol
LogP0.89
Rot. Bonds5

About N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide

N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide (PubChem CID 125436272) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
PubChem CID125436272
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C
InChIInChI=1S/C12H17N5O2S/c1-9(2)11(12-14-8-15-17(12)3)16-20(18,19)10-5-4-6-13-7-10/h4-9,11,16H,1-3H3/t11-/m0/s1
InChIKeyUJPGKAQMDROQLS-NSHDSACASA-N
XLogP0.89
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-Methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991495
2-[5-(2-Methylbutyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 22504699
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-isopropylpyridine-3-sulfonamide
CID 42623869
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzenesulfonamide
CID 137639159
4-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzenesulfonamide
CID 137658873
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
2-[5-(2-Methylpropyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 22504703
N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 47084788
2-{3-isobutyl-5-[(methylsulfonyl)methyl]-1H-1,2,4-triazol-1-yl}pyridine
CID 50973417

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide (CID 125436272) is N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide is CC(C)[C@H](NS(=O)(=O)c1cccnc1)c1ncnn1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
The InChIKey is UJPGKAQMDROQLS-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9(2)11(12-14-8-15-17(12)3)16-20(18,19)10-5-4-6-13-7-10/h4-9,11,16H,1-3H3/t11-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide?
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 125436272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).