1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine

C13H19NS — CID 106849725

IUPAC1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)c1ccc(SC)cc1
InChIInChI=1S/C13H19NS/c1-3-4-11-9-13(11,14)10-5-7-12(15-2)8-6-10/h5-8,11H,3-4,9,14H2,1-2H3
InChIKeyHCFZXMYMTSBVCN-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine

1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine (PubChem CID 106849725) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine
PubChem CID106849725
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)c1ccc(SC)cc1
InChIInChI=1S/C13H19NS/c1-3-4-11-9-13(11,14)10-5-7-12(15-2)8-6-10/h5-8,11H,3-4,9,14H2,1-2H3
InChIKeyHCFZXMYMTSBVCN-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine 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-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine (CID 106849725) is 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine is CCCC1CC1(N)c1ccc(SC)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine?
The InChIKey is HCFZXMYMTSBVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-4-11-9-13(11,14)10-5-7-12(15-2)8-6-10/h5-8,11H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine?
1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine is sourced from PubChem (CID 106849725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).