N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide

C12H24N2OS — CID 115897719

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H24N2OS/c1-4-11(10-16-3)13(2)12(15)14-8-6-5-7-9-14/h11H,4-10H2,1-3H3
InChIKeyACBDCYLHWJKRTF-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide

N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide (PubChem CID 115897719) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
PubChem CID115897719
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
SMILESCCC(CSC)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H24N2OS/c1-4-11(10-16-3)13(2)12(15)14-8-6-5-7-9-14/h11H,4-10H2,1-3H3
InChIKeyACBDCYLHWJKRTF-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
CID 112662788
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
2-[1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 112662795
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115986528
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978547
N-methyl-N-(1-methylsulfanylpropan-2-yl)morpholine-4-carboxamide
CID 115640207
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide (CID 115897719) is N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide is CCC(CSC)N(C)C(=O)N1CCCCC1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide?
The InChIKey is ACBDCYLHWJKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-11(10-16-3)13(2)12(15)14-8-6-5-7-9-14/h11H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide?
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115897719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).