N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride

C12H26ClN3O3S — CID 119292349

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-3-19(17,18)15(2)9-5-8-14-12(16)11-6-4-7-13-10-11;/h11,13H,3-10H2,1-2H3,(H,14,16);1H
InChIKeyAPDKOOPMJWHARD-UHFFFAOYSA-N
MW327.88 g/mol
LogP0.20
Rot. Bonds7

About N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride

N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119292349) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119292349
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-3-19(17,18)15(2)9-5-8-14-12(16)11-6-4-7-13-10-11;/h11,13H,3-10H2,1-2H3,(H,14,16);1H
InChIKeyAPDKOOPMJWHARD-UHFFFAOYSA-N
XLogP0.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 50.20
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-[3-[cyclohexyl(methyl)amino]propyl]piperidine-3-carboxamide
CID 60981375
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
(3S)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-carboxamide
CID 81140340
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 83111640
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride (CID 119292349) is N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride is CCS(=O)(=O)N(C)CCCNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is APDKOOPMJWHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-3-19(17,18)15(2)9-5-8-14-12(16)11-6-4-7-13-10-11;/h11,13H,3-10H2,1-2H3,(H,14,16);1H.
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride?
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119292349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).