4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide

C17H24N6O2S — CID 54581474

IUPAC4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
SMILESCC(C)c1nc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1
InChIInChI=1S/C17H24N6O2S/c1-10(2)16-20-17(22-21-16)23-26(24,25)15-9-18-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)(H2,20,21,22,23)/t11-,12+,14+/m0/s1
InChIKeyUCKMHPVVANEWOV-OUCADQQQSA-N
MW376.49 g/mol
LogP2.72
Rot. Bonds6

About 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide

4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide (PubChem CID 54581474) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
PubChem CID54581474
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide
SMILESCC(C)c1nc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1
InChIInChI=1S/C17H24N6O2S/c1-10(2)16-20-17(22-21-16)23-26(24,25)15-9-18-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)(H2,20,21,22,23)/t11-,12+,14+/m0/s1
InChIKeyUCKMHPVVANEWOV-OUCADQQQSA-N
XLogP2.72
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide (CID 54581474) is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide is CC(C)c1nc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)n[nH]1.
What is the InChIKey of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
The InChIKey is UCKMHPVVANEWOV-OUCADQQQSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-10(2)16-20-17(22-21-16)23-26(24,25)15-9-18-6-5-13(15)19-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)(H2,20,21,22,23)/t11-,12+,14+/m0/s1.
What are the key properties of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide?
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide has a molecular weight of 376.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 54581474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).