2-cyclopentylsulfanylaniline

C11H15NS — CID 24700926

IUPAC2-cyclopentylsulfanylaniline
SMILESNc1ccccc1SC1CCCC1
InChIInChI=1S/C11H15NS/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKeyBLPGHIAZWJCNJA-UHFFFAOYSA-N
MW193.32 g/mol
LogP3.30
Rot. Bonds2

About 2-cyclopentylsulfanylaniline

2-cyclopentylsulfanylaniline (PubChem CID 24700926) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 2-cyclopentylsulfanylaniline.

Molecular Properties

Compound Name2-cyclopentylsulfanylaniline
PubChem CID24700926
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name2-cyclopentylsulfanylaniline
SMILESNc1ccccc1SC1CCCC1
InChIInChI=1S/C11H15NS/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKeyBLPGHIAZWJCNJA-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Thiodianiline
CID 8765
2-Aminothiophenol
CID 8713
4-(Methylthio)aniline
CID 66038
1,2-Bis(2-aminophenylthio)ethane
CID 92343
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
Benzenamine, 3-(methylthio)-
CID 15693
2-(Phenylthio)aniline
CID 365393
2-(Methylthio)aniline
CID 76337
2-(Isopropylthio)aniline
CID 13852720
2-(Benzylthio)aniline
CID 80616
4-(Phenylthio)aniline
CID 96081
2-Methanesulfonylaniline
CID 244659

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanylaniline?
The IUPAC name of 2-cyclopentylsulfanylaniline (CID 24700926) is 2-cyclopentylsulfanylaniline.
What is the SMILES notation for 2-cyclopentylsulfanylaniline?
The canonical SMILES for 2-cyclopentylsulfanylaniline is Nc1ccccc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanylaniline?
The InChIKey is BLPGHIAZWJCNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2.
What are the key properties of 2-cyclopentylsulfanylaniline?
2-cyclopentylsulfanylaniline has a molecular weight of 193.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanylaniline is sourced from PubChem (CID 24700926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).