N,N,N'-trimethyl-2-sulfanylethanimidamide

C5H12N2S — CID 45087521

IUPACN,N,N'-trimethyl-2-sulfanylethanimidamide
SMILESC/N=C(\CS)N(C)C
InChIInChI=1S/C5H12N2S/c1-6-5(4-8)7(2)3/h8H,4H2,1-3H3/b6-5+
InChIKeyMASOVSLTEFAFQM-AATRIKPKSA-N
MW132.23 g/mol
LogP0.51
Rot. Bonds1

About N,N,N'-trimethyl-2-sulfanylethanimidamide

N,N,N'-trimethyl-2-sulfanylethanimidamide (PubChem CID 45087521) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N,N,N'-trimethyl-2-sulfanylethanimidamide.

Molecular Properties

Compound NameN,N,N'-trimethyl-2-sulfanylethanimidamide
PubChem CID45087521
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN,N,N'-trimethyl-2-sulfanylethanimidamide
SMILESC/N=C(\CS)N(C)C
InChIInChI=1S/C5H12N2S/c1-6-5(4-8)7(2)3/h8H,4H2,1-3H3/b6-5+
InChIKeyMASOVSLTEFAFQM-AATRIKPKSA-N
XLogP0.51
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N,N'-trimethyl-2-sulfanylethanimidamide 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

N,N-dimethyl-2-sulfanylethanimidamide
CID 13852468
N-[1-(dimethylamino)ethylidene]ethanethioamide
CID 20745756
N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164812811
[1-(Dimethylamino)-2-methylsulfanylethylidene]-dimethylazanium
CID 12902153
[1-(Dimethylamino)-2-dimethylsulfonioethylidene]-dimethylazanium
CID 12902156
Dimethyl-[1-(methylamino)-2-sulfanylethylidene]azanium
CID 20137107
N-[1-(dimethylamino)ethylidene]methanethioamide
CID 143442598
N-methyl-N,N'-bis(sulfanylmethyl)ethanimidamide
CID 164990479

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-2-sulfanylethanimidamide?
The IUPAC name of N,N,N'-trimethyl-2-sulfanylethanimidamide (CID 45087521) is N,N,N'-trimethyl-2-sulfanylethanimidamide.
What is the SMILES notation for N,N,N'-trimethyl-2-sulfanylethanimidamide?
The canonical SMILES for N,N,N'-trimethyl-2-sulfanylethanimidamide is C/N=C(\CS)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-2-sulfanylethanimidamide?
The InChIKey is MASOVSLTEFAFQM-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N2S/c1-6-5(4-8)7(2)3/h8H,4H2,1-3H3/b6-5+.
What are the key properties of N,N,N'-trimethyl-2-sulfanylethanimidamide?
N,N,N'-trimethyl-2-sulfanylethanimidamide has a molecular weight of 132.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-2-sulfanylethanimidamide is sourced from PubChem (CID 45087521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).