N-[1-(methylamino)ethyl]ethanethioamide

C5H12N2S — CID 89174793

IUPACN-[1-(methylamino)ethyl]ethanethioamide
SMILESCNC(C)NC(C)=S
InChIInChI=1S/C5H12N2S/c1-4(6-3)7-5(2)8/h4,6H,1-3H3,(H,7,8)
InChIKeySXZHQNYPVOHWQX-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.49
Rot. Bonds2

About N-[1-(methylamino)ethyl]ethanethioamide

N-[1-(methylamino)ethyl]ethanethioamide (PubChem CID 89174793) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N-[1-(methylamino)ethyl]ethanethioamide.

Molecular Properties

Compound NameN-[1-(methylamino)ethyl]ethanethioamide
PubChem CID89174793
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN-[1-(methylamino)ethyl]ethanethioamide
SMILESCNC(C)NC(C)=S
InChIInChI=1S/C5H12N2S/c1-4(6-3)7-5(2)8/h4,6H,1-3H3,(H,7,8)
InChIKeySXZHQNYPVOHWQX-UHFFFAOYSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[1-(methylamino)ethyl]ethanethioamide 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-[1-(methylamino)ethyl]acetamide
CID 87728985
N-(3-aminobutan-2-yl)ethanethioamide
CID 88670413
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]ethanethioamide
CID 102391134
N-methylethanethioamide;hydroiodide
CID 74891920
copper N-[1-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 141002094
N,N'-di(propan-2-yl)ethanedithioamide
CID 3032814
N-(2-methyl-1-phenylpropyl)ethanethioamide
CID 121010251
acetic acid;1,3-di(propan-2-yl)thiourea
CID 173402637
1-(methylamino)ethanol;hydroiodide
CID 173051300
methyl N-(1-acetamidoethyl)carbamodithioate
CID 88733867
1-(1,1-difluoropropan-2-yl)-3-methylthiourea
CID 131010457
1-butan-2-yl-3-methylthiourea
CID 12906295

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)ethyl]ethanethioamide?
The IUPAC name of N-[1-(methylamino)ethyl]ethanethioamide (CID 89174793) is N-[1-(methylamino)ethyl]ethanethioamide.
What is the SMILES notation for N-[1-(methylamino)ethyl]ethanethioamide?
The canonical SMILES for N-[1-(methylamino)ethyl]ethanethioamide is CNC(C)NC(C)=S.
What is the InChIKey of N-[1-(methylamino)ethyl]ethanethioamide?
The InChIKey is SXZHQNYPVOHWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4(6-3)7-5(2)8/h4,6H,1-3H3,(H,7,8).
What are the key properties of N-[1-(methylamino)ethyl]ethanethioamide?
N-[1-(methylamino)ethyl]ethanethioamide has a molecular weight of 132.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)ethyl]ethanethioamide is sourced from PubChem (CID 89174793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).