4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide

C11H22N2OS — CID 63959527

IUPAC4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
SMILESCSCC(C)CNC(=O)C1CNCC1C
InChIInChI=1S/C11H22N2OS/c1-8(7-15-3)4-13-11(14)10-6-12-5-9(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyZUQWVPILHLEVTF-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.96
Rot. Bonds5

About 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide

4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide (PubChem CID 63959527) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
PubChem CID63959527
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
SMILESCSCC(C)CNC(=O)C1CNCC1C
InChIInChI=1S/C11H22N2OS/c1-8(7-15-3)4-13-11(14)10-6-12-5-9(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyZUQWVPILHLEVTF-UHFFFAOYSA-N
XLogP0.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-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

Related Compounds

4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
CID 63959724
N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959969
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036
(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
CID 114134011
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
N-(2-methyl-3-methylsulfanylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 63959744
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
(2R)-2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909244
2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63715316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide (CID 63959527) is 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide is CSCC(C)CNC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is ZUQWVPILHLEVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(7-15-3)4-13-11(14)10-6-12-5-9(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide?
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63959527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).