N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

C16H29N3O3S — CID 4275555

IUPACN-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H29N3O3S/c20-16(17-15-8-2-1-3-9-15)14-7-6-12-19(13-14)23(21,22)18-10-4-5-11-18/h14-15H,1-13H2,(H,17,20)
InChIKeyVNJAGHLYIBHSAB-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.49
Rot. Bonds4

About N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4275555) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID4275555
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C16H29N3O3S/c20-16(17-15-8-2-1-3-9-15)14-7-6-12-19(13-14)23(21,22)18-10-4-5-11-18/h14-15H,1-13H2,(H,17,20)
InChIKeyVNJAGHLYIBHSAB-UHFFFAOYSA-N
XLogP1.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (CID 4275555) is N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VNJAGHLYIBHSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c20-16(17-15-8-2-1-3-9-15)14-7-6-12-19(13-14)23(21,22)18-10-4-5-11-18/h14-15H,1-13H2,(H,17,20).
What are the key properties of N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4275555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).