(ethylideneamino)-(methylsulfanylmethyl)carbamic acid

C5H10N2O2S — CID 57244525

IUPAC(ethylideneamino)-(methylsulfanylmethyl)carbamic acid
SMILESCC=NN(CSC)C(=O)O
InChIInChI=1S/C5H10N2O2S/c1-3-6-7(4-10-2)5(8)9/h3H,4H2,1-2H3,(H,8,9)
InChIKeySKACWXJQLNYJOW-UHFFFAOYSA-N
MW162.21 g/mol
LogP1.29
Rot. Bonds3

About (ethylideneamino)-(methylsulfanylmethyl)carbamic acid

(ethylideneamino)-(methylsulfanylmethyl)carbamic acid (PubChem CID 57244525) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is (ethylideneamino)-(methylsulfanylmethyl)carbamic acid.

Molecular Properties

Compound Name(ethylideneamino)-(methylsulfanylmethyl)carbamic acid
PubChem CID57244525
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name(ethylideneamino)-(methylsulfanylmethyl)carbamic acid
SMILESCC=NN(CSC)C(=O)O
InChIInChI=1S/C5H10N2O2S/c1-3-6-7(4-10-2)5(8)9/h3H,4H2,1-2H3,(H,8,9)
InChIKeySKACWXJQLNYJOW-UHFFFAOYSA-N
XLogP1.29
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (ethylideneamino)-(methylsulfanylmethyl)carbamic acid 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 (ethylideneamino)-(methylsulfanylmethyl)carbamic acid?
The IUPAC name of (ethylideneamino)-(methylsulfanylmethyl)carbamic acid (CID 57244525) is (ethylideneamino)-(methylsulfanylmethyl)carbamic acid.
What is the SMILES notation for (ethylideneamino)-(methylsulfanylmethyl)carbamic acid?
The canonical SMILES for (ethylideneamino)-(methylsulfanylmethyl)carbamic acid is CC=NN(CSC)C(=O)O.
What is the InChIKey of (ethylideneamino)-(methylsulfanylmethyl)carbamic acid?
The InChIKey is SKACWXJQLNYJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-6-7(4-10-2)5(8)9/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of (ethylideneamino)-(methylsulfanylmethyl)carbamic acid?
(ethylideneamino)-(methylsulfanylmethyl)carbamic acid has a molecular weight of 162.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino)-(methylsulfanylmethyl)carbamic acid is sourced from PubChem (CID 57244525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).