N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride

C10H21ClN2OS — CID 119280390

IUPACN-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCSCCCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-14-7-3-6-12-10(13)9-4-2-5-11-8-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyJRYUPXXEFUDPIY-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.28
Rot. Bonds5

About N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride

N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119280390) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119280390
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC NameN-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCSCCCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-14-7-3-6-12-10(13)9-4-2-5-11-8-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyJRYUPXXEFUDPIY-UHFFFAOYSA-N
XLogP1.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-(3-cyclohexylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119289858
(3S)-N-(3-methylsulfonylpropyl)piperidine-3-carboxamide
CID 81128243
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[3-[(2-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 154901383
(3S)-N-hex-5-ynylpiperidine-3-carboxamide
CID 106213073
N-(3-cyclohexylpropyl)piperidine-3-carboxamide
CID 119289859

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride (CID 119280390) is N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride is CSCCCNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is JRYUPXXEFUDPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-14-7-3-6-12-10(13)9-4-2-5-11-8-9;/h9,11H,2-8H2,1H3,(H,12,13);1H.
What are the key properties of N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119280390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).