5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine

C15H19ClN6O2S — CID 75470337

IUPAC5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine
SMILESNc1ncc(Cl)cc1S(=O)(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H19ClN6O2S/c16-11-6-12(13(17)18-7-11)25(23,24)22-5-1-2-10(8-22)15-19-14(20-21-15)9-3-4-9/h6-7,9-10H,1-5,8H2,(H2,17,18)(H,19,20,21)
InChIKeyFCHSVXBAZONWBZ-UHFFFAOYSA-N
MW382.88 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine

5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 75470337) has the molecular formula C15H19ClN6O2S and a molecular weight of 382.88 g/mol. Its IUPAC name is 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine
PubChem CID75470337
Molecular FormulaC15H19ClN6O2S
Molecular Weight382.88 g/mol
Exact Mass382.10
IUPAC Name5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine
SMILESNc1ncc(Cl)cc1S(=O)(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H19ClN6O2S/c16-11-6-12(13(17)18-7-11)25(23,24)22-5-1-2-10(8-22)15-19-14(20-21-15)9-3-4-9/h6-7,9-10H,1-5,8H2,(H2,17,18)(H,19,20,21)
InChIKeyFCHSVXBAZONWBZ-UHFFFAOYSA-N
XLogP1.88
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 97330595
(3R)-1-(4-tert-butylpiperidin-1-yl)sulfonyl-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
CID 97332378
5-chloro-3-(4-cyclopropylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 126784700
5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
CID 75441729
4-chloro-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 136532516
(3-chloro-5-fluorophenyl)-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 138996513
(3-chloro-4-fluorophenyl)-[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 124568710
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromopyridin-2-amine
CID 63155054
5-chloro-3-[(3S)-3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 129328651
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100514745
2-[(3R)-1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100514734

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine (CID 75470337) is 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine is Nc1ncc(Cl)cc1S(=O)(=O)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is FCHSVXBAZONWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2S/c16-11-6-12(13(17)18-7-11)25(23,24)22-5-1-2-10(8-22)15-19-14(20-21-15)9-3-4-9/h6-7,9-10H,1-5,8H2,(H2,17,18)(H,19,20,21).
What are the key properties of 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine?
5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 382.88 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 75470337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).