1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine

C10H14ClNS — CID 83689745

IUPAC1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine
SMILESCNC(C)C1(c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClNS/c1-7(12-2)10(5-6-10)8-3-4-9(11)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeySIMHWQUSGOSLNV-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.04
Rot. Bonds3

About 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine

1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine (PubChem CID 83689745) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine
PubChem CID83689745
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine
SMILESCNC(C)C1(c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClNS/c1-7(12-2)10(5-6-10)8-3-4-9(11)13-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeySIMHWQUSGOSLNV-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine (CID 83689745) is 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine is CNC(C)C1(c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine?
The InChIKey is SIMHWQUSGOSLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-7(12-2)10(5-6-10)8-3-4-9(11)13-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine?
1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine has a molecular weight of 215.75 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)cyclopropyl]-N-methylethanamine is sourced from PubChem (CID 83689745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).