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

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

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

Launch Full Analysis

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).