3-(2-phenylsulfanylethyl)cycloheptan-1-amine

C15H23NS — CID 79223679

IUPAC3-(2-phenylsulfanylethyl)cycloheptan-1-amine
SMILESNC1CCCCC(CCSc2ccccc2)C1
InChIInChI=1S/C15H23NS/c16-14-7-5-4-6-13(12-14)10-11-17-15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12,16H2
InChIKeyFWOSNCWVQONVNB-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.08
Rot. Bonds4

About 3-(2-phenylsulfanylethyl)cycloheptan-1-amine

3-(2-phenylsulfanylethyl)cycloheptan-1-amine (PubChem CID 79223679) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-(2-phenylsulfanylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name3-(2-phenylsulfanylethyl)cycloheptan-1-amine
PubChem CID79223679
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3-(2-phenylsulfanylethyl)cycloheptan-1-amine
SMILESNC1CCCCC(CCSc2ccccc2)C1
InChIInChI=1S/C15H23NS/c16-14-7-5-4-6-13(12-14)10-11-17-15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12,16H2
InChIKeyFWOSNCWVQONVNB-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocycloheptyl)ethyl benzoate
CID 123815530
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
1-bromo-2-(2-phenylsulfanylethyl)cycloheptane
CID 79228964
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
2-(2-phenylsulfanylethyl)azepane
CID 79223210
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
N-cyclopentyloxy-2-phenylsulfanylethanamine
CID 83235558
4-(2-phenylsulfanylethyl)thiolan-3-amine
CID 83196484
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
CID 79227583
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228619
(1R,5S)-3-(2-phenylsulfanylethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 122561047

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylsulfanylethyl)cycloheptan-1-amine?
The IUPAC name of 3-(2-phenylsulfanylethyl)cycloheptan-1-amine (CID 79223679) is 3-(2-phenylsulfanylethyl)cycloheptan-1-amine.
What is the SMILES notation for 3-(2-phenylsulfanylethyl)cycloheptan-1-amine?
The canonical SMILES for 3-(2-phenylsulfanylethyl)cycloheptan-1-amine is NC1CCCCC(CCSc2ccccc2)C1.
What is the InChIKey of 3-(2-phenylsulfanylethyl)cycloheptan-1-amine?
The InChIKey is FWOSNCWVQONVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c16-14-7-5-4-6-13(12-14)10-11-17-15-8-2-1-3-9-15/h1-3,8-9,13-14H,4-7,10-12,16H2.
What are the key properties of 3-(2-phenylsulfanylethyl)cycloheptan-1-amine?
3-(2-phenylsulfanylethyl)cycloheptan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylsulfanylethyl)cycloheptan-1-amine is sourced from PubChem (CID 79223679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).