1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

C10H17N5O3S — CID 54883438

IUPAC1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C10H17N5O3S/c1-19(17,18)15-4-2-3-8(6-15)10(16)11-5-9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyOODMTQDATLDZMZ-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.91
Rot. Bonds4

About 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 54883438) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID54883438
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C10H17N5O3S/c1-19(17,18)15-4-2-3-8(6-15)10(16)11-5-9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyOODMTQDATLDZMZ-UHFFFAOYSA-N
XLogP-0.91
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (CID 54883438) is 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OODMTQDATLDZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-19(17,18)15-4-2-3-8(6-15)10(16)11-5-9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 287.35 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 54883438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).