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

C10H17N5O3S — CID 54885050

IUPAC1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H17N5O3S/c1-19(17,18)15-5-3-2-4-8(15)10(16)11-6-9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyGFNJVDCFUBUVNV-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.76
Rot. Bonds4

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

1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide (PubChem CID 54885050) 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-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide
PubChem CID54885050
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H17N5O3S/c1-19(17,18)15-5-3-2-4-8(15)10(16)11-6-9-12-7-13-14-9/h7-8H,2-6H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyGFNJVDCFUBUVNV-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide (CID 54885050) is 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide?
The InChIKey is GFNJVDCFUBUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-19(17,18)15-5-3-2-4-8(15)10(16)11-6-9-12-7-13-14-9/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-2-carboxamide?
1-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2-carboxamide has a molecular weight of 287.35 g/mol, XLogP of -0.76, 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-2-carboxamide is sourced from PubChem (CID 54885050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).