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

C18H33N3O3S — CID 3515692

IUPACN-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H33N3O3S/c1-15-7-3-4-8-17(15)19-18(22)16-9-13-21(14-10-16)25(23,24)20-11-5-2-6-12-20/h15-17H,2-14H2,1H3,(H,19,22)
InChIKeyJDHMBNGUALYYBZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.12
Rot. Bonds4

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

N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3515692) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3515692
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H33N3O3S/c1-15-7-3-4-8-17(15)19-18(22)16-9-13-21(14-10-16)25(23,24)20-11-5-2-6-12-20/h15-17H,2-14H2,1H3,(H,19,22)
InChIKeyJDHMBNGUALYYBZ-UHFFFAOYSA-N
XLogP2.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.12
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-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3515692) is N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JDHMBNGUALYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-15-7-3-4-8-17(15)19-18(22)16-9-13-21(14-10-16)25(23,24)20-11-5-2-6-12-20/h15-17H,2-14H2,1H3,(H,19,22).
What are the key properties of N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(2-methylcyclohexyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 2.12, 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-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3515692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).