4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide

C13H23N7O3S — CID 95203259

IUPAC4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1
InChIInChI=1S/C13H23N7O3S/c14-24(22,23)20-6-4-18(5-7-20)13(21)12-10-19(17-16-12)9-11-2-1-3-15-8-11/h10-11,15H,1-9H2,(H2,14,22,23)/t11-/m1/s1
InChIKeyBJVCIPJHAJOVNO-LLVKDONJSA-N
MW357.44 g/mol
LogP-1.76
Rot. Bonds4

About 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide

4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide (PubChem CID 95203259) has the molecular formula C13H23N7O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
PubChem CID95203259
Molecular FormulaC13H23N7O3S
Molecular Weight357.44 g/mol
Exact Mass357.16
IUPAC Name4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1
InChIInChI=1S/C13H23N7O3S/c14-24(22,23)20-6-4-18(5-7-20)13(21)12-10-19(17-16-12)9-11-2-1-3-15-8-11/h10-11,15H,1-9H2,(H2,14,22,23)/t11-/m1/s1
InChIKeyBJVCIPJHAJOVNO-LLVKDONJSA-N
XLogP-1.76
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide (CID 95203259) is 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1.
What is the InChIKey of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
The InChIKey is BJVCIPJHAJOVNO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N7O3S/c14-24(22,23)20-6-4-18(5-7-20)13(21)12-10-19(17-16-12)9-11-2-1-3-15-8-11/h10-11,15H,1-9H2,(H2,14,22,23)/t11-/m1/s1.
What are the key properties of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 95203259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).