2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine

C15H21F2NS — CID 64648291

IUPAC2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Sc1cc(F)ccc1F
InChIInChI=1S/C15H21F2NS/c1-18-13-6-4-2-3-5-7-14(13)19-15-10-11(16)8-9-12(15)17/h8-10,13-14,18H,2-7H2,1H3
InChIKeyVHXKVTJLKYBGRI-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.37
Rot. Bonds3

About 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine

2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine (PubChem CID 64648291) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
PubChem CID64648291
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1Sc1cc(F)ccc1F
InChIInChI=1S/C15H21F2NS/c1-18-13-6-4-2-3-5-7-14(13)19-15-10-11(16)8-9-12(15)17/h8-10,13-14,18H,2-7H2,1H3
InChIKeyVHXKVTJLKYBGRI-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64649448
2-(2,4-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64613286
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64621640
2-(3,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64614934
2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64620313
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64614748
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylcycloheptan-1-amine
CID 64647886
N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
CID 64647674
N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64648280

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine (CID 64648291) is 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine is CNC1CCCCCCC1Sc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine?
The InChIKey is VHXKVTJLKYBGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c1-18-13-6-4-2-3-5-7-14(13)19-15-10-11(16)8-9-12(15)17/h8-10,13-14,18H,2-7H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine?
2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine has a molecular weight of 285.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine is sourced from PubChem (CID 64648291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).