N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide

C12H22N2O3S — CID 4532778

IUPACN-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C12H22N2O3S/c1-2-8-18(16,17)14-7-3-4-10(9-14)12(15)13-11-5-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyGRPGYCCDZHKJOQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.72
Rot. Bonds5

About N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide

N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 4532778) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID4532778
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C12H22N2O3S/c1-2-8-18(16,17)14-7-3-4-10(9-14)12(15)13-11-5-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyGRPGYCCDZHKJOQ-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3243710
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3244262
N-butyl-1-propylsulfonylpiperidine-3-carboxamide
CID 5193635
N-butyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 5136285
Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
Cyclohexanecarboxylic acid (1-ethanesulfonyl-piperidin-4-yl)-amide
CID 645503
N-cyclohexyl-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236558
N-(sec-butyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3237619
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649
1-(ethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3238160
N-(3-methoxypropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 4621782
1-(ethylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)piperidine-3-carboxamide
CID 3237516

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide (CID 4532778) is N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is GRPGYCCDZHKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-2-8-18(16,17)14-7-3-4-10(9-14)12(15)13-11-5-6-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide?
N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4532778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).