2-(methylamino)-4-methylsulfanylbutanal

C6H13NOS — CID 18340137

IUPAC2-(methylamino)-4-methylsulfanylbutanal
SMILESCNC(C=O)CCSC
InChIInChI=1S/C6H13NOS/c1-7-6(5-8)3-4-9-2/h5-7H,3-4H2,1-2H3
InChIKeyNFZZIXSFNJLZDO-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.53
Rot. Bonds5

About 2-(methylamino)-4-methylsulfanylbutanal

2-(methylamino)-4-methylsulfanylbutanal (PubChem CID 18340137) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-(methylamino)-4-methylsulfanylbutanal.

Molecular Properties

Compound Name2-(methylamino)-4-methylsulfanylbutanal
PubChem CID18340137
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-(methylamino)-4-methylsulfanylbutanal
SMILESCNC(C=O)CCSC
InChIInChI=1S/C6H13NOS/c1-7-6(5-8)3-4-9-2/h5-7H,3-4H2,1-2H3
InChIKeyNFZZIXSFNJLZDO-UHFFFAOYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methylamino)-4-methylsulfanylbutanal 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 2-(methylamino)-4-methylsulfanylbutanal?
The IUPAC name of 2-(methylamino)-4-methylsulfanylbutanal (CID 18340137) is 2-(methylamino)-4-methylsulfanylbutanal.
What is the SMILES notation for 2-(methylamino)-4-methylsulfanylbutanal?
The canonical SMILES for 2-(methylamino)-4-methylsulfanylbutanal is CNC(C=O)CCSC.
What is the InChIKey of 2-(methylamino)-4-methylsulfanylbutanal?
The InChIKey is NFZZIXSFNJLZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-7-6(5-8)3-4-9-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(methylamino)-4-methylsulfanylbutanal?
2-(methylamino)-4-methylsulfanylbutanal has a molecular weight of 147.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-methylsulfanylbutanal is sourced from PubChem (CID 18340137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).