3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one

C14H19NOS — CID 96676025

IUPAC3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
SMILESNCCC(=O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H19NOS/c15-10-9-14(16)11-5-7-13(8-6-11)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10,15H2
InChIKeyGBXMKSLQWSGART-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.25
Rot. Bonds5

About 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one

3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one (PubChem CID 96676025) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
PubChem CID96676025
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
SMILESNCCC(=O)c1ccc(SC2CCCC2)cc1
InChIInChI=1S/C14H19NOS/c15-10-9-14(16)11-5-7-13(8-6-11)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10,15H2
InChIKeyGBXMKSLQWSGART-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 82496466
2-bromo-1-(4-cyclopentylsulfanylphenyl)ethanone
CID 82490225
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
1-(4-cyclohexylsulfanylphenyl)ethanone
CID 60885973
3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one
CID 143981717
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
3-amino-1-(2-cyclopropylsulfanylphenyl)propan-1-one
CID 117316970
3-amino-1-[4-(thian-4-yl)phenyl]propan-1-one
CID 117377608
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
2-[1-(4-cyclopentylsulfanylphenyl)ethylideneamino]guanidine
CID 172795345
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one (CID 96676025) is 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one is NCCC(=O)c1ccc(SC2CCCC2)cc1.
What is the InChIKey of 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one?
The InChIKey is GBXMKSLQWSGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c15-10-9-14(16)11-5-7-13(8-6-11)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10,15H2.
What are the key properties of 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one?
3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one has a molecular weight of 249.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 96676025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).