1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine

C10H14ClNS — CID 115863512

IUPAC1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNS/c11-10-5-4-9(13-10)8(12)6-7-2-1-3-7/h4-5,7-8H,1-3,6,12H2
InChIKeyRCICQZYGSFKFGA-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.59
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine

1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine (PubChem CID 115863512) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
PubChem CID115863512
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNS/c11-10-5-4-9(13-10)8(12)6-7-2-1-3-7/h4-5,7-8H,1-3,6,12H2
InChIKeyRCICQZYGSFKFGA-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-chlorothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171200582
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
CID 114457765
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
1-(5-chlorothiophen-2-yl)-1-N-(cyclopentylmethyl)-1-N-methylpropane-1,2-diamine
CID 55247309
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine (CID 115863512) is 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine is NC(CC1CCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine?
The InChIKey is RCICQZYGSFKFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-10-5-4-9(13-10)8(12)6-7-2-1-3-7/h4-5,7-8H,1-3,6,12H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine?
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine has a molecular weight of 215.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine is sourced from PubChem (CID 115863512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).