1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

C14H27N3O3S — CID 3280107

IUPAC1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)17-11-4-6-13(12-17)14(18)15-7-5-10-16-8-2-3-9-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyUDMCTCXZDDJMQI-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.26
Rot. Bonds6

About 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 3280107) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID3280107
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)17-11-4-6-13(12-17)14(18)15-7-5-10-16-8-2-3-9-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyUDMCTCXZDDJMQI-UHFFFAOYSA-N
XLogP0.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide (CID 3280107) is 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is UDMCTCXZDDJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-21(19,20)17-11-4-6-13(12-17)14(18)15-7-5-10-16-8-2-3-9-16/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3280107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).