3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine

C12H18ClNS — CID 116539484

IUPAC3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2ccc(Cl)s2)C1
InChIInChI=1S/C12H18ClNS/c1-3-14-9-6-7-12(2,8-9)10-4-5-11(13)15-10/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyFYLCTRRVWIRBPK-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.82
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine

3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine (PubChem CID 116539484) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
PubChem CID116539484
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2ccc(Cl)s2)C1
InChIInChI=1S/C12H18ClNS/c1-3-14-9-6-7-12(2,8-9)10-4-5-11(13)15-10/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyFYLCTRRVWIRBPK-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine (CID 116539484) is 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine is CCNC1CCC(C)(c2ccc(Cl)s2)C1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
The InChIKey is FYLCTRRVWIRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-3-14-9-6-7-12(2,8-9)10-4-5-11(13)15-10/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine?
3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116539484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).