1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine

C16H25NS — CID 64666325

IUPAC1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1cccc(SC2CCCCC2)c1
InChIInChI=1S/C16H25NS/c1-3-17-13(2)14-8-7-11-16(12-14)18-15-9-5-4-6-10-15/h7-8,11-13,15,17H,3-6,9-10H2,1-2H3
InChIKeyQZEZDGHEMVBVAM-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.78
Rot. Bonds5

About 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine

1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine (PubChem CID 64666325) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
PubChem CID64666325
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1cccc(SC2CCCCC2)c1
InChIInChI=1S/C16H25NS/c1-3-17-13(2)14-8-7-11-16(12-14)18-15-9-5-4-6-10-15/h7-8,11-13,15,17H,3-6,9-10H2,1-2H3
InChIKeyQZEZDGHEMVBVAM-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1,1-dioxothiolan-3-yl)sulfanylphenyl]-N-ethylethanamine
CID 64664867
N-ethyl-1-[3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79906727
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
CID 64666998
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-1,1-dioxothiolan-3-ol
CID 64666334
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine
CID 65165461
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140918
N-[1-(3-cyclohex-2-en-1-ylsulfanylphenyl)ethyl]propan-1-amine
CID 114620829

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine (CID 64666325) is 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine is CCNC(C)c1cccc(SC2CCCCC2)c1.
What is the InChIKey of 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine?
The InChIKey is QZEZDGHEMVBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-17-13(2)14-8-7-11-16(12-14)18-15-9-5-4-6-10-15/h7-8,11-13,15,17H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine?
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine is sourced from PubChem (CID 64666325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).