2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

C15H25NS2 — CID 79988667

IUPAC2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(CSC1CCCCC1)c1sccc1C
InChIInChI=1S/C15H25NS2/c1-3-16-14(15-12(2)9-10-17-15)11-18-13-7-5-4-6-8-13/h9-10,13-14,16H,3-8,11H2,1-2H3
InChIKeyPNIJYDCETHCXLZ-UHFFFAOYSA-N
MW283.51 g/mol
LogP4.77
Rot. Bonds6

About 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 79988667) has the molecular formula C15H25NS2 and a molecular weight of 283.51 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID79988667
Molecular FormulaC15H25NS2
Molecular Weight283.51 g/mol
Exact Mass283.14
IUPAC Name2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCNC(CSC1CCCCC1)c1sccc1C
InChIInChI=1S/C15H25NS2/c1-3-16-14(15-12(2)9-10-17-15)11-18-13-7-5-4-6-8-13/h9-10,13-14,16H,3-8,11H2,1-2H3
InChIKeyPNIJYDCETHCXLZ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine (CID 79988667) is 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is CCNC(CSC1CCCCC1)c1sccc1C.
What is the InChIKey of 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is PNIJYDCETHCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS2/c1-3-16-14(15-12(2)9-10-17-15)11-18-13-7-5-4-6-8-13/h9-10,13-14,16H,3-8,11H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine?
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 283.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79988667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).