(2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde

C6H11NOS — CID 22883059

IUPAC(2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde
SMILESCSC1CN[C@H](C=O)C1
InChIInChI=1S/C6H11NOS/c1-9-6-2-5(4-8)7-3-6/h4-7H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyFKBCSRXNZQRWAV-ZBHICJROSA-N
MW145.23 g/mol
LogP0.28
Rot. Bonds2

About (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde

(2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde (PubChem CID 22883059) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde
PubChem CID22883059
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde
SMILESCSC1CN[C@H](C=O)C1
InChIInChI=1S/C6H11NOS/c1-9-6-2-5(4-8)7-3-6/h4-7H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyFKBCSRXNZQRWAV-ZBHICJROSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde 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-propan-2-ylpyrrolidine-2-carbaldehyde
CID 163379757
4-methylsulfanylpyrrolidine-2-carboxylic acid
CID 13419864
[(2S)-4-methylsulfanylpyrrolidin-2-yl]methanol
CID 88973819
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate
CID 14036227
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate;hydrochloride
CID 14036226
5-methylsulfanyl-3-azabicyclo[5.1.0]octane
CID 170074183
2-methylsulfanylcyclopropane-1-carbaldehyde
CID 54464986
methyl 4-[[(2S,4S)-4-methylsulfanylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778751
4-(2-bromophenyl)pyrrolidine-2-carbaldehyde
CID 174983448
5-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174573198
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
methylsulfanylcyclopropane
CID 12678402

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde (CID 22883059) is (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde is CSC1CN[C@H](C=O)C1.
What is the InChIKey of (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde?
The InChIKey is FKBCSRXNZQRWAV-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9-6-2-5(4-8)7-3-6/h4-7H,2-3H2,1H3/t5-,6?/m0/s1.
What are the key properties of (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde?
(2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde has a molecular weight of 145.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfanylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 22883059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).