1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide

C12H20N4O3S — CID 18092776

IUPAC1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C12H20N4O3S/c1-3-20(18,19)16-8-4-10(5-9-16)12(17)13-11-6-7-15(2)14-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14,17)
InChIKeyIXCUOSBMRJYCTO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.42
Rot. Bonds4

About 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 18092776) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID18092776
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C12H20N4O3S/c1-3-20(18,19)16-8-4-10(5-9-16)12(17)13-11-6-7-15(2)14-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14,17)
InChIKeyIXCUOSBMRJYCTO-UHFFFAOYSA-N
XLogP0.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-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-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide (CID 18092776) is 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is IXCUOSBMRJYCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-20(18,19)16-8-4-10(5-9-16)12(17)13-11-6-7-15(2)14-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14,17).
What are the key properties of 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 18092776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).