3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one

C14H20N2OS — CID 143981717

IUPAC3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(NSC2CCCC2)c1
InChIInChI=1S/C14H20N2OS/c15-9-8-14(17)11-4-3-5-12(10-11)16-18-13-6-1-2-7-13/h3-5,10,13,16H,1-2,6-9,15H2
InChIKeyRRLPOVKVNHWAGX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.22
Rot. Bonds6

About 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one

3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one (PubChem CID 143981717) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one
PubChem CID143981717
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(NSC2CCCC2)c1
InChIInChI=1S/C14H20N2OS/c15-9-8-14(17)11-4-3-5-12(10-11)16-18-13-6-1-2-7-13/h3-5,10,13,16H,1-2,6-9,15H2
InChIKeyRRLPOVKVNHWAGX-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one 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

3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936
3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
CID 46195405
3-amino-1-(4-cyclopentylsulfanylphenyl)propan-1-one
CID 96676025
3-amino-1-[3-(oxan-4-yl)phenyl]propan-1-one
CID 117338436
3-amino-1-[3-(cyclohexylmethylsulfinyl)phenyl]propan-1-one
CID 59280882
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
3-amino-1-[3-(thietan-3-yl)phenyl]propan-1-one
CID 117316972
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
2-amino-1-[3-(oxiran-2-ylamino)phenyl]ethanone
CID 175538573

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one (CID 143981717) is 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one is NCCC(=O)c1cccc(NSC2CCCC2)c1.
What is the InChIKey of 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one?
The InChIKey is RRLPOVKVNHWAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-9-8-14(17)11-4-3-5-12(10-11)16-18-13-6-1-2-7-13/h3-5,10,13,16H,1-2,6-9,15H2.
What are the key properties of 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one?
3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one has a molecular weight of 264.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one is sourced from PubChem (CID 143981717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).