(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide

C10H20N2O3S — CID 81128243

IUPAC(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)7-3-6-12-10(13)9-4-2-5-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyBBQIMIWHMBLYOH-VIFPVBQESA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds5

About (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide

(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide (PubChem CID 81128243) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
PubChem CID81128243
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)7-3-6-12-10(13)9-4-2-5-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyBBQIMIWHMBLYOH-VIFPVBQESA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
methyl 6-(piperidine-3-carbonylamino)hexanoate
CID 119269488
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-(3-cyclohexylpropyl)piperidine-3-carboxamide
CID 119289859
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide (CID 81128243) is (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide is CS(=O)(=O)CCCNC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide?
The InChIKey is BBQIMIWHMBLYOH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-16(14,15)7-3-6-12-10(13)9-4-2-5-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide?
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 81128243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).