N,N-dimethyl-2-methylsulfanylethenamine

C5H11NS — CID 123385295

IUPACN,N-dimethyl-2-methylsulfanylethenamine
SMILESCSC=CN(C)C
InChIInChI=1S/C5H11NS/c1-6(2)4-5-7-3/h4-5H,1-3H3
InChIKeySEMNJBZTMZMUMN-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.38
Rot. Bonds2

About N,N-dimethyl-2-methylsulfanylethenamine

N,N-dimethyl-2-methylsulfanylethenamine (PubChem CID 123385295) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanylethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanylethenamine
PubChem CID123385295
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN,N-dimethyl-2-methylsulfanylethenamine
SMILESCSC=CN(C)C
InChIInChI=1S/C5H11NS/c1-6(2)4-5-7-3/h4-5H,1-3H3
InChIKeySEMNJBZTMZMUMN-UHFFFAOYSA-N
XLogP1.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-methylsulfanylethenamine 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 N,N-dimethyl-2-methylsulfanylethenamine?
The IUPAC name of N,N-dimethyl-2-methylsulfanylethenamine (CID 123385295) is N,N-dimethyl-2-methylsulfanylethenamine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanylethenamine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanylethenamine is CSC=CN(C)C.
What is the InChIKey of N,N-dimethyl-2-methylsulfanylethenamine?
The InChIKey is SEMNJBZTMZMUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6(2)4-5-7-3/h4-5H,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanylethenamine?
N,N-dimethyl-2-methylsulfanylethenamine has a molecular weight of 117.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanylethenamine is sourced from PubChem (CID 123385295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).