N-cyclohexyl-2-(difluoromethylsulfanyl)aniline

C13H17F2NS — CID 28517752

IUPACN-cyclohexyl-2-(difluoromethylsulfanyl)aniline
SMILESFC(F)Sc1ccccc1NC1CCCCC1
InChIInChI=1S/C13H17F2NS/c14-13(15)17-12-9-5-4-8-11(12)16-10-6-2-1-3-7-10/h4-5,8-10,13,16H,1-3,6-7H2
InChIKeyLEUDJVVHXAQUDG-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.75
Rot. Bonds4

About N-cyclohexyl-2-(difluoromethylsulfanyl)aniline

N-cyclohexyl-2-(difluoromethylsulfanyl)aniline (PubChem CID 28517752) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(difluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-2-(difluoromethylsulfanyl)aniline
PubChem CID28517752
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC NameN-cyclohexyl-2-(difluoromethylsulfanyl)aniline
SMILESFC(F)Sc1ccccc1NC1CCCCC1
InChIInChI=1S/C13H17F2NS/c14-13(15)17-12-9-5-4-8-11(12)16-10-6-2-1-3-7-10/h4-5,8-10,13,16H,1-3,6-7H2
InChIKeyLEUDJVVHXAQUDG-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(Methylthio)phenyl)piperazine
CID 2736895
2,3-Dihydro-1,4-benzothiazine
CID 151064
N-Methyl-2-(methylsulfanyl)aniline
CID 12707653
3,4-Dihydro-2H-benzo[b][1,4]thiazine hydrochloride
CID 16192655
Phenothiazine, 1,2,3,4,4a,10a-hexahydro-
CID 216010
2,3,4,5-Tetrahydro-1,5-benzothiazepine
CID 93963
1-Cyclohexyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2371608
N-benzyl-4-(trifluoromethylsulfanyl)aniline
CID 43230121
1-[2-(4-Fluorophenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237439
1-Cyclohexyl-3-(2-methylsulfanylphenyl)thiourea
CID 5063592
3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 10558984
N,N-diethyl-2-methylsulfanylaniline
CID 57638465

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(difluoromethylsulfanyl)aniline?
The IUPAC name of N-cyclohexyl-2-(difluoromethylsulfanyl)aniline (CID 28517752) is N-cyclohexyl-2-(difluoromethylsulfanyl)aniline.
What is the SMILES notation for N-cyclohexyl-2-(difluoromethylsulfanyl)aniline?
The canonical SMILES for N-cyclohexyl-2-(difluoromethylsulfanyl)aniline is FC(F)Sc1ccccc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(difluoromethylsulfanyl)aniline?
The InChIKey is LEUDJVVHXAQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c14-13(15)17-12-9-5-4-8-11(12)16-10-6-2-1-3-7-10/h4-5,8-10,13,16H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-2-(difluoromethylsulfanyl)aniline?
N-cyclohexyl-2-(difluoromethylsulfanyl)aniline has a molecular weight of 257.35 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(difluoromethylsulfanyl)aniline is sourced from PubChem (CID 28517752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).