[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine

C13H19NS — CID 178197130

IUPAC[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine
SMILESCSc1ccc([C@H]2[C@H](CN)C2(C)C)cc1
InChIInChI=1S/C13H19NS/c1-13(2)11(8-14)12(13)9-4-6-10(15-3)7-5-9/h4-7,11-12H,8,14H2,1-3H3/t11-,12-/m0/s1
InChIKeyWYDGPXJYCMLCON-RYUDHWBXSA-N
MW221.37 g/mol
LogP3.11
Rot. Bonds3

About [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine

[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine (PubChem CID 178197130) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine
PubChem CID178197130
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine
SMILESCSc1ccc([C@H]2[C@H](CN)C2(C)C)cc1
InChIInChI=1S/C13H19NS/c1-13(2)11(8-14)12(13)9-4-6-10(15-3)7-5-9/h4-7,11-12H,8,14H2,1-3H3/t11-,12-/m0/s1
InChIKeyWYDGPXJYCMLCON-RYUDHWBXSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine 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 [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine (CID 178197130) is [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine is CSc1ccc([C@H]2[C@H](CN)C2(C)C)cc1.
What is the InChIKey of [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine?
The InChIKey is WYDGPXJYCMLCON-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NS/c1-13(2)11(8-14)12(13)9-4-6-10(15-3)7-5-9/h4-7,11-12H,8,14H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine?
[(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine has a molecular weight of 221.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-dimethyl-3-(4-methylsulfanylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 178197130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).