N-butan-2-yl-4-cyclopentylsulfanylaniline

C15H23NS — CID 43726330

IUPACN-butan-2-yl-4-cyclopentylsulfanylaniline
SMILESCCC(C)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C15H23NS/c1-3-12(2)16-13-8-10-15(11-9-13)17-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3
InChIKeyCQLFKFWLHBUAGG-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.93
Rot. Bonds5

About N-butan-2-yl-4-cyclopentylsulfanylaniline

N-butan-2-yl-4-cyclopentylsulfanylaniline (PubChem CID 43726330) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-butan-2-yl-4-cyclopentylsulfanylaniline.

Molecular Properties

Compound NameN-butan-2-yl-4-cyclopentylsulfanylaniline
PubChem CID43726330
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-butan-2-yl-4-cyclopentylsulfanylaniline
SMILESCCC(C)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C15H23NS/c1-3-12(2)16-13-8-10-15(11-9-13)17-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3
InChIKeyCQLFKFWLHBUAGG-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1,4-benzothiazine
CID 151064
N-Methyl-2-(methylsulfanyl)aniline
CID 12707653
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
2,3,4,5-Tetrahydro-1,5-benzothiazepine
CID 93963
4-(Methylamino)phenyl thiocyanate hydrochloride
CID 2921744
2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide
CID 5010791
4-methylsulfanyl-N-[[5-[(4-methylsulfanylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155515615
4-[4-(Ethylamino)phenyl]sulfonylaniline
CID 284730
2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 3992711
N-methyl-4-thiocyanatoaniline
CID 686389
N-Methyl-4-(phenylsulfanyl)aniline
CID 12379734

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-cyclopentylsulfanylaniline?
The IUPAC name of N-butan-2-yl-4-cyclopentylsulfanylaniline (CID 43726330) is N-butan-2-yl-4-cyclopentylsulfanylaniline.
What is the SMILES notation for N-butan-2-yl-4-cyclopentylsulfanylaniline?
The canonical SMILES for N-butan-2-yl-4-cyclopentylsulfanylaniline is CCC(C)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of N-butan-2-yl-4-cyclopentylsulfanylaniline?
The InChIKey is CQLFKFWLHBUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-12(2)16-13-8-10-15(11-9-13)17-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-4-cyclopentylsulfanylaniline?
N-butan-2-yl-4-cyclopentylsulfanylaniline has a molecular weight of 249.42 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-cyclopentylsulfanylaniline is sourced from PubChem (CID 43726330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).