(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide

C11H22N2O4S — CID 7030670

IUPAC(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-17-8-4-6-12-11(14)10-5-3-7-13(9-10)18(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyRIAQRHIWCYKEGE-JTQLQIEISA-N
MW278.37 g/mol
LogP-0.19
Rot. Bonds6

About (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide

(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 7030670) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID7030670
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-17-8-4-6-12-11(14)10-5-3-7-13(9-10)18(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyRIAQRHIWCYKEGE-JTQLQIEISA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide
CID 71785561
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3446298
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 7030670) is (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide is COCCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is RIAQRHIWCYKEGE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-8-4-6-12-11(14)10-5-3-7-13(9-10)18(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide?
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 7030670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).