N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

C14H27N3O3S — CID 156601508

IUPACN-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C14H27N3O3S/c1-2-3-8-15-14(18)13-7-6-11-17(12-13)21(19,20)16-9-4-5-10-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyVHIJTUOSTPZRHS-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.96
Rot. Bonds6

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

N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 156601508) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID156601508
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C14H27N3O3S/c1-2-3-8-15-14(18)13-7-6-11-17(12-13)21(19,20)16-9-4-5-10-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyVHIJTUOSTPZRHS-UHFFFAOYSA-N
XLogP0.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (CID 156601508) is N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is CCCCNC(=O)C1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VHIJTUOSTPZRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-2-3-8-15-14(18)13-7-6-11-17(12-13)21(19,20)16-9-4-5-10-16/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 156601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).