N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline

C11H14F5NS — CID 170900129

IUPACN-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline
SMILESFS(F)(F)(F)(F)c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C11H14F5NS/c12-18(13,14,15,16)11-7-5-10(6-8-11)17-9-3-1-2-4-9/h5-9,17H,1-4H2
InChIKeyAVJPDYNSAMMRCH-UHFFFAOYSA-N
MW287.30 g/mol
LogP5.70
Rot. Bonds3

About N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline

N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 170900129) has the molecular formula C11H14F5NS and a molecular weight of 287.30 g/mol. Its IUPAC name is N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID170900129
Molecular FormulaC11H14F5NS
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC NameN-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline
SMILESFS(F)(F)(F)(F)c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C11H14F5NS/c12-18(13,14,15,16)11-7-5-10(6-8-11)17-9-3-1-2-4-9/h5-9,17H,1-4H2
InChIKeyAVJPDYNSAMMRCH-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.30
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline (CID 170900129) is N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline is FS(F)(F)(F)(F)c1ccc(NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is AVJPDYNSAMMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5NS/c12-18(13,14,15,16)11-7-5-10(6-8-11)17-9-3-1-2-4-9/h5-9,17H,1-4H2.
What are the key properties of N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline?
N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 287.30 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 170900129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).