N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine

C6H15N3S — CID 143442597

IUPACN-[1-(dimethylamino)ethylidene]methanethioamide;methanamine
SMILESC/C(=N\C=S)N(C)C.CN
InChIInChI=1S/C5H10N2S.CH5N/c1-5(6-4-8)7(2)3;1-2/h4H,1-3H3;2H2,1H3/b6-5+;
InChIKeyAYFWKRZZBJZZTO-IPZCTEOASA-N
MW161.27 g/mol
LogP0.50
Rot. Bonds1

About N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine

N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine (PubChem CID 143442597) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]methanethioamide;methanamine
PubChem CID143442597
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC NameN-[1-(dimethylamino)ethylidene]methanethioamide;methanamine
SMILESC/C(=N\C=S)N(C)C.CN
InChIInChI=1S/C5H10N2S.CH5N/c1-5(6-4-8)7(2)3;1-2/h4H,1-3H3;2H2,1H3/b6-5+;
InChIKeyAYFWKRZZBJZZTO-IPZCTEOASA-N
XLogP0.50
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.50
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine 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-[1-(dimethylamino)ethylidene]methanethioamide;methanamine?
The IUPAC name of N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine (CID 143442597) is N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine is C/C(=N\C=S)N(C)C.CN.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine?
The InChIKey is AYFWKRZZBJZZTO-IPZCTEOASA-N. The full InChI is InChI=1S/C5H10N2S.CH5N/c1-5(6-4-8)7(2)3;1-2/h4H,1-3H3;2H2,1H3/b6-5+;.
What are the key properties of N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine?
N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine has a molecular weight of 161.27 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]methanethioamide;methanamine is sourced from PubChem (CID 143442597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).