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

C12H18ClNS — CID 107360790

IUPAC3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(c2sccc2Cl)C1
InChIInChI=1S/C12H18ClNS/c1-2-14-10-5-3-4-9(8-10)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyJGLNSNSVOHIZTG-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.04
Rot. Bonds3

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

3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine (PubChem CID 107360790) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
PubChem CID107360790
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(c2sccc2Cl)C1
InChIInChI=1S/C12H18ClNS/c1-2-14-10-5-3-4-9(8-10)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyJGLNSNSVOHIZTG-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine (CID 107360790) is 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine is CCNC1CCCC(c2sccc2Cl)C1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine?
The InChIKey is JGLNSNSVOHIZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-2-14-10-5-3-4-9(8-10)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine?
3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 107360790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).