2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine

C14H20FNS — CID 64621640

IUPAC2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1Sc1ccccc1F
InChIInChI=1S/C14H20FNS/c1-16-12-8-3-2-4-10-14(12)17-13-9-6-5-7-11(13)15/h5-7,9,12,14,16H,2-4,8,10H2,1H3
InChIKeyTYNJAXNXRNNYHE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine

2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine (PubChem CID 64621640) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
PubChem CID64621640
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1Sc1ccccc1F
InChIInChI=1S/C14H20FNS/c1-16-12-8-3-2-4-10-14(12)17-13-9-6-5-7-11(13)15/h5-7,9,12,14,16H,2-4,8,10H2,1H3
InChIKeyTYNJAXNXRNNYHE-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64648291
2-(2,4-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64613286
2-(2,5-difluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64649448
2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64619503
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
4-ethyl-2-(2-fluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64620075
2-(3,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64614934
2-(2,4-dimethylphenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64620313
N-methyl-2-(2-nitrophenyl)sulfanylcyclopentan-1-amine
CID 64610741
N-methyl-2-pyrimidin-2-ylsulfanylcyclododecan-1-amine
CID 64647674
N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64648280
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine (CID 64621640) is 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine is CNC1CCCCCC1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine?
The InChIKey is TYNJAXNXRNNYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-16-12-8-3-2-4-10-14(12)17-13-9-6-5-7-11(13)15/h5-7,9,12,14,16H,2-4,8,10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine?
2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 64621640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).