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

C9H18N2OS — CID 63959724

IUPAC4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
SMILESCSCCNC(=O)C1CNCC1C
InChIInChI=1S/C9H18N2OS/c1-7-5-10-6-8(7)9(12)11-3-4-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFCVSDMGDSSEKGU-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.32
Rot. Bonds4

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

4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide (PubChem CID 63959724) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
PubChem CID63959724
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
SMILESCSCCNC(=O)C1CNCC1C
InChIInChI=1S/C9H18N2OS/c1-7-5-10-6-8(7)9(12)11-3-4-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFCVSDMGDSSEKGU-UHFFFAOYSA-N
XLogP0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 63959527
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
(2R)-2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909244
2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63715316
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036
N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
CID 79400917
N-[2-(ethylsulfamoyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 103822199
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
CID 79401380
4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 115747522
(3S,4S)-4-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-3-carboxamide
CID 114137023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide (CID 63959724) is 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide is CSCCNC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FCVSDMGDSSEKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7-5-10-6-8(7)9(12)11-3-4-13-2/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide?
4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63959724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).