1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine

C14H20ClNS — CID 55176547

IUPAC1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
SMILESCC(N)C(SC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c1-10(16)14(17-13-4-2-3-5-13)11-6-8-12(15)9-7-11/h6-10,13-14H,2-5,16H2,1H3
InChIKeyZLLYPZJGBVZSAL-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine

1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine (PubChem CID 55176547) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
PubChem CID55176547
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
SMILESCC(N)C(SC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNS/c1-10(16)14(17-13-4-2-3-5-13)11-6-8-12(15)9-7-11/h6-10,13-14H,2-5,16H2,1H3
InChIKeyZLLYPZJGBVZSAL-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine (CID 55176547) is 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine is CC(N)C(SC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine?
The InChIKey is ZLLYPZJGBVZSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10(16)14(17-13-4-2-3-5-13)11-6-8-12(15)9-7-11/h6-10,13-14H,2-5,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine?
1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine has a molecular weight of 269.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine is sourced from PubChem (CID 55176547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).