3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride

C12H25ClN2OS — CID 119945555

IUPAC3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)C1(C)CCCNC1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-11(2,16-4)8-14-10(15)12(3)6-5-7-13-9-12;/h13H,5-9H2,1-4H3,(H,14,15);1H
InChIKeyKDDPYBDPTSKEDQ-UHFFFAOYSA-N
MW280.86 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride

3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119945555) has the molecular formula C12H25ClN2OS and a molecular weight of 280.86 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119945555
Molecular FormulaC12H25ClN2OS
Molecular Weight280.86 g/mol
Exact Mass280.14
IUPAC Name3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
SMILESCSC(C)(C)CNC(=O)C1(C)CCCNC1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-11(2,16-4)8-14-10(15)12(3)6-5-7-13-9-12;/h13H,5-9H2,1-4H3,(H,14,15);1H
InChIKeyKDDPYBDPTSKEDQ-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.86
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 66177466
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945393
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 66185354
N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
3-methylpiperidine-3-carbohydrazide
CID 63991806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride (CID 119945555) is 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride is CSC(C)(C)CNC(=O)C1(C)CCCNC1.Cl.
What is the InChIKey of 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is KDDPYBDPTSKEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS.ClH/c1-11(2,16-4)8-14-10(15)12(3)6-5-7-13-9-12;/h13H,5-9H2,1-4H3,(H,14,15);1H.
What are the key properties of 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride?
3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 280.86 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119945555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).