N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C17H31N3O3S — CID 4108928

IUPACN-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H31N3O3S/c1-14-6-2-3-7-16(14)18-17(21)15-8-12-20(13-9-15)24(22,23)19-10-4-5-11-19/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyDOARRTIPINCAAG-UHFFFAOYSA-N
MW357.52 g/mol
LogP1.73
Rot. Bonds4

About N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4108928) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID4108928
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C17H31N3O3S/c1-14-6-2-3-7-16(14)18-17(21)15-8-12-20(13-9-15)24(22,23)19-10-4-5-11-19/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyDOARRTIPINCAAG-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 4108928) is N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is DOARRTIPINCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-14-6-2-3-7-16(14)18-17(21)15-8-12-20(13-9-15)24(22,23)19-10-4-5-11-19/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4108928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).