N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C15H29N3O3S — CID 4694318

IUPACN-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-13(2)5-8-16-15(19)14-6-11-18(12-7-14)22(20,21)17-9-3-4-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyGUBHSUJGMCQZMP-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.20
Rot. Bonds6

About N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4694318) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID4694318
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-13(2)5-8-16-15(19)14-6-11-18(12-7-14)22(20,21)17-9-3-4-10-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyGUBHSUJGMCQZMP-UHFFFAOYSA-N
XLogP1.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-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 N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 4694318) is N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GUBHSUJGMCQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-13(2)5-8-16-15(19)14-6-11-18(12-7-14)22(20,21)17-9-3-4-10-17/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4694318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).