3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide

C12H24N2OS — CID 115747548

IUPAC3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
SMILESCSCCC(C)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H24N2OS/c1-10(5-8-16-3)14-11(15)12(2)6-4-7-13-9-12/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyVEBGYGYXTXEVDV-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.63
Rot. Bonds5

About 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide

3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 115747548) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
PubChem CID115747548
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
SMILESCSCCC(C)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H24N2OS/c1-10(5-8-16-3)14-11(15)12(2)6-4-7-13-9-12/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyVEBGYGYXTXEVDV-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 110012454
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63141298
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 113269218
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 63129996
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
N-[(1R)-1-cycloheptylethyl]-3-methylpiperidine-3-carboxamide
CID 81392969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide (CID 115747548) is 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide is CSCCC(C)NC(=O)C1(C)CCCNC1.
What is the InChIKey of 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is VEBGYGYXTXEVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(5-8-16-3)14-11(15)12(2)6-4-7-13-9-12/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 115747548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).