N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide

C12H22N2O2S — CID 115636243

IUPACN-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCSCCC(C)N(C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O2S/c1-9(6-7-17-3)14(2)12(16)10-4-5-11(15)13-8-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyDLMMTTHJZMQVMZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.11
Rot. Bonds5

About N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide

N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 115636243) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID115636243
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCSCCC(C)N(C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O2S/c1-9(6-7-17-3)14(2)12(16)10-4-5-11(15)13-8-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyDLMMTTHJZMQVMZ-UHFFFAOYSA-N
XLogP1.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 115691430
N-methyl-N-(2-methylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78994366
2-[butan-2-yl-(6-oxopiperidine-3-carbonyl)amino]acetic acid
CID 113318991
N-methyl-6-oxo-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 112728802
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
N-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728719
N-(1-ethylpiperidin-4-yl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 78968206
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115900350
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986
N-methyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 112728459
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 112729310

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide (CID 115636243) is N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide is CSCCC(C)N(C)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is DLMMTTHJZMQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(6-7-17-3)14(2)12(16)10-4-5-11(15)13-8-10/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide?
N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 115636243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).