N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C18H33N3O3S — CID 4097587

IUPACN-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)C1C
InChIInChI=1S/C18H33N3O3S/c1-14-6-5-7-17(15(14)2)19-18(22)16-8-12-21(13-9-16)25(23,24)20-10-3-4-11-20/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyXWZWLLMUPCKMDL-UHFFFAOYSA-N
MW371.55 g/mol
LogP1.98
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4097587) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID4097587
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)C1C
InChIInChI=1S/C18H33N3O3S/c1-14-6-5-7-17(15(14)2)19-18(22)16-8-12-21(13-9-16)25(23,24)20-10-3-4-11-20/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyXWZWLLMUPCKMDL-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 4097587) is N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CC1CCCC(NC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XWZWLLMUPCKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-14-6-5-7-17(15(14)2)19-18(22)16-8-12-21(13-9-16)25(23,24)20-10-3-4-11-20/h14-17H,3-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4097587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).