1-(propan-2-ylideneamino)sulfanylethenamine

C5H10N2S — CID 138553445

IUPAC1-(propan-2-ylideneamino)sulfanylethenamine
SMILESC=C(N)SN=C(C)C
InChIInChI=1S/C5H10N2S/c1-4(2)7-8-5(3)6/h3,6H2,1-2H3
InChIKeyAIAUNCGHJAXGCN-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.55
Rot. Bonds2

About 1-(propan-2-ylideneamino)sulfanylethenamine

1-(propan-2-ylideneamino)sulfanylethenamine (PubChem CID 138553445) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-(propan-2-ylideneamino)sulfanylethenamine.

Molecular Properties

Compound Name1-(propan-2-ylideneamino)sulfanylethenamine
PubChem CID138553445
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-(propan-2-ylideneamino)sulfanylethenamine
SMILESC=C(N)SN=C(C)C
InChIInChI=1S/C5H10N2S/c1-4(2)7-8-5(3)6/h3,6H2,1-2H3
InChIKeyAIAUNCGHJAXGCN-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(propan-2-ylideneamino)sulfanylethenamine 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 1-(propan-2-ylideneamino)sulfanylethenamine?
The IUPAC name of 1-(propan-2-ylideneamino)sulfanylethenamine (CID 138553445) is 1-(propan-2-ylideneamino)sulfanylethenamine.
What is the SMILES notation for 1-(propan-2-ylideneamino)sulfanylethenamine?
The canonical SMILES for 1-(propan-2-ylideneamino)sulfanylethenamine is C=C(N)SN=C(C)C.
What is the InChIKey of 1-(propan-2-ylideneamino)sulfanylethenamine?
The InChIKey is AIAUNCGHJAXGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(2)7-8-5(3)6/h3,6H2,1-2H3.
What are the key properties of 1-(propan-2-ylideneamino)sulfanylethenamine?
1-(propan-2-ylideneamino)sulfanylethenamine has a molecular weight of 130.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylideneamino)sulfanylethenamine is sourced from PubChem (CID 138553445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).