1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol

C14H21NOS — CID 103158873

IUPAC1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESNc1cccc(SCC(O)CC2CCCC2)c1
InChIInChI=1S/C14H21NOS/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10,15H2
InChIKeyKXKJKHHMZLEUBG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol

1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol (PubChem CID 103158873) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
PubChem CID103158873
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESNc1cccc(SCC(O)CC2CCCC2)c1
InChIInChI=1S/C14H21NOS/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10,15H2
InChIKeyKXKJKHHMZLEUBG-UHFFFAOYSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
CID 103160778
1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158833
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
CID 66147924
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
CID 103160784
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol (CID 103158873) is 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol is Nc1cccc(SCC(O)CC2CCCC2)c1.
What is the InChIKey of 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The InChIKey is KXKJKHHMZLEUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c15-12-6-3-7-14(9-12)17-10-13(16)8-11-4-1-2-5-11/h3,6-7,9,11,13,16H,1-2,4-5,8,10,15H2.
What are the key properties of 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol has a molecular weight of 251.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103158873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).