N'-propan-2-yl-2-sulfanylethanimidamide

C5H12N2S — CID 55287792

IUPACN'-propan-2-yl-2-sulfanylethanimidamide
SMILESCC(C)/N=C(/N)CS
InChIInChI=1S/C5H12N2S/c1-4(2)7-5(6)3-8/h4,8H,3H2,1-2H3,(H2,6,7)
InChIKeyKQEGBHKJYCCWCV-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.68
Rot. Bonds2

About N'-propan-2-yl-2-sulfanylethanimidamide

N'-propan-2-yl-2-sulfanylethanimidamide (PubChem CID 55287792) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N'-propan-2-yl-2-sulfanylethanimidamide.

Molecular Properties

Compound NameN'-propan-2-yl-2-sulfanylethanimidamide
PubChem CID55287792
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN'-propan-2-yl-2-sulfanylethanimidamide
SMILESCC(C)/N=C(/N)CS
InChIInChI=1S/C5H12N2S/c1-4(2)7-5(6)3-8/h4,8H,3H2,1-2H3,(H2,6,7)
InChIKeyKQEGBHKJYCCWCV-UHFFFAOYSA-N
XLogP0.68
TPSA38.38 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 ≤ 50.68
H-Bond Donors ≤ 52
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'-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2-sulfanylethanimidamide?
The IUPAC name of N'-propan-2-yl-2-sulfanylethanimidamide (CID 55287792) is N'-propan-2-yl-2-sulfanylethanimidamide.
What is the SMILES notation for N'-propan-2-yl-2-sulfanylethanimidamide?
The canonical SMILES for N'-propan-2-yl-2-sulfanylethanimidamide is CC(C)/N=C(/N)CS.
What is the InChIKey of N'-propan-2-yl-2-sulfanylethanimidamide?
The InChIKey is KQEGBHKJYCCWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4(2)7-5(6)3-8/h4,8H,3H2,1-2H3,(H2,6,7).
What are the key properties of N'-propan-2-yl-2-sulfanylethanimidamide?
N'-propan-2-yl-2-sulfanylethanimidamide has a molecular weight of 132.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-sulfanylethanimidamide is sourced from PubChem (CID 55287792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).