1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine

C12H18ClNS — CID 107359280

IUPAC1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(c2sccc2Cl)C1
InChIInChI=1S/C12H18ClNS/c1-2-9-4-3-6-12(14,8-9)11-10(13)5-7-15-11/h5,7,9H,2-4,6,8,14H2,1H3
InChIKeyYJNOYCHUFSHLAX-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.16
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine

1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine (PubChem CID 107359280) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine
PubChem CID107359280
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(c2sccc2Cl)C1
InChIInChI=1S/C12H18ClNS/c1-2-9-4-3-6-12(14,8-9)11-10(13)5-7-15-11/h5,7,9H,2-4,6,8,14H2,1H3
InChIKeyYJNOYCHUFSHLAX-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine (CID 107359280) is 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine is CCC1CCCC(N)(c2sccc2Cl)C1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine?
The InChIKey is YJNOYCHUFSHLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-2-9-4-3-6-12(14,8-9)11-10(13)5-7-15-11/h5,7,9H,2-4,6,8,14H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine?
1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 107359280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).