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

C16H25NS — CID 20573036

IUPAC3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C16H25NS/c1-17(2)13-5-6-14-9-11-16(12-10-14)18-15-7-3-4-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKeyWLGIDGLQLGYGOO-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.22
Rot. Bonds6

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

3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 20573036) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID20573036
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C16H25NS/c1-17(2)13-5-6-14-9-11-16(12-10-14)18-15-7-3-4-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKeyWLGIDGLQLGYGOO-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine (CID 20573036) is 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is WLGIDGLQLGYGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-17(2)13-5-6-14-9-11-16(12-10-14)18-15-7-3-4-8-15/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 20573036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).