3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine

C14H21NS — CID 20573468

IUPAC3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyRSWPLQKANUBPTP-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.44
Rot. Bonds6

About 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine

3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 20573468) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID20573468
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyRSWPLQKANUBPTP-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-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 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine (CID 20573468) is 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(SC2CC2)cc1.
What is the InChIKey of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is RSWPLQKANUBPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 20573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).