N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine

C12H17NOS — CID 117032941

IUPACN-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
SMILESCOc1ccc(SCNC2CC2)cc1C
InChIInChI=1S/C12H17NOS/c1-9-7-11(5-6-12(9)14-2)15-8-13-10-3-4-10/h5-7,10,13H,3-4,8H2,1-2H3
InChIKeyWNKFRGAXCBIZFI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.81
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine

N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine (PubChem CID 117032941) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
PubChem CID117032941
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
SMILESCOc1ccc(SCNC2CC2)cc1C
InChIInChI=1S/C12H17NOS/c1-9-7-11(5-6-12(9)14-2)15-8-13-10-3-4-10/h5-7,10,13H,3-4,8H2,1-2H3
InChIKeyWNKFRGAXCBIZFI-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine 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

4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 117033246
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576
N-[(3,4-dichlorophenyl)sulfanylmethyl]cyclopropanamine
CID 117032940
2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
CID 117032557
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032934
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
CID 170743959
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074
2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine
CID 117033278
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine (CID 117032941) is N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine is COc1ccc(SCNC2CC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine?
The InChIKey is WNKFRGAXCBIZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-7-11(5-6-12(9)14-2)15-8-13-10-3-4-10/h5-7,10,13H,3-4,8H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine?
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine has a molecular weight of 223.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine is sourced from PubChem (CID 117032941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).