3-iminothiolan-2-amine

C4H8N2S — CID 140585741

IUPAC3-iminothiolan-2-amine
SMILES[H]/N=C1\CCSC1N
InChIInChI=1S/C4H8N2S/c5-3-1-2-7-4(3)6/h4-5H,1-2,6H2/b5-3+
InChIKeyPYJSWRKFCSPTFG-HWKANZROSA-N
MW116.19 g/mol
LogP0.43
Rot. Bonds

About 3-iminothiolan-2-amine

3-iminothiolan-2-amine (PubChem CID 140585741) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is 3-iminothiolan-2-amine.

Molecular Properties

Compound Name3-iminothiolan-2-amine
PubChem CID140585741
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name3-iminothiolan-2-amine
SMILES[H]/N=C1\CCSC1N
InChIInChI=1S/C4H8N2S/c5-3-1-2-7-4(3)6/h4-5H,1-2,6H2/b5-3+
InChIKeyPYJSWRKFCSPTFG-HWKANZROSA-N
XLogP0.43
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-iminothiolan-2-amine 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

2-iminocyclohexan-1-amine
CID 23599757
(2-iminocyclopropyl)methanamine
CID 160659278
(2-iminocyclopentyl)methanamine
CID 91322509
3a,4,5,6,7,7a-hexahydro-1-benzothiophen-3-imine
CID 162411129
2-iminocyclopentan-1-ol
CID 131743641
bicyclo[4.2.0]octan-2-imine
CID 142909528
2,3-diethylcyclobutan-1-imine
CID 163689155
1,2,3a,4,5,6,7,8,9,9a-decahydrocyclopenta[8]annulen-3-imine
CID 143341086
4-iminocyclohex-2-en-1-amine
CID 123227294
2-ethenylcyclopropan-1-imine
CID 152749195
5,7-dimethylbicyclo[4.1.0]heptan-2-imine
CID 129276415
thiane-2,3-diimine
CID 123238597

Frequently Asked Questions

What is the IUPAC name of 3-iminothiolan-2-amine?
The IUPAC name of 3-iminothiolan-2-amine (CID 140585741) is 3-iminothiolan-2-amine.
What is the SMILES notation for 3-iminothiolan-2-amine?
The canonical SMILES for 3-iminothiolan-2-amine is [H]/N=C1\CCSC1N.
What is the InChIKey of 3-iminothiolan-2-amine?
The InChIKey is PYJSWRKFCSPTFG-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2S/c5-3-1-2-7-4(3)6/h4-5H,1-2,6H2/b5-3+.
What are the key properties of 3-iminothiolan-2-amine?
3-iminothiolan-2-amine has a molecular weight of 116.19 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminothiolan-2-amine is sourced from PubChem (CID 140585741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).