2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine

C10H18F3NS — CID 116616671

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
SMILESNC1CCCCCC1CCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-7-6-8-4-2-1-3-5-9(8)14/h8-9H,1-7,14H2
InChIKeyUDNOXEPTGINIFC-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.54
Rot. Bonds3

About 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine

2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine (PubChem CID 116616671) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
PubChem CID116616671
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
SMILESNC1CCCCCC1CCSC(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)15-7-6-8-4-2-1-3-5-9(8)14/h8-9H,1-7,14H2
InChIKeyUDNOXEPTGINIFC-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(Aminomethylsulfanyl)-3-(trifluoromethyl)heptan-2-amine
CID 129095905
(1S)-1-cycloheptyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891286
(1R)-1-cycloheptyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891287
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156348
5,5,5-Trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174337
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-amine
CID 105174339
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174427
4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 105693368
4-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 106427235
4-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 114187445
4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 114187459
1-(3,3-Difluorocyclopentyl)-3-(thian-4-yl)propan-2-amine
CID 114225720

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine (CID 116616671) is 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine is NC1CCCCCC1CCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
The InChIKey is UDNOXEPTGINIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)15-7-6-8-4-2-1-3-5-9(8)14/h8-9H,1-7,14H2.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine?
2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 116616671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).