3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine

C10H12BrNS — CID 79879708

IUPAC3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine
SMILESNC1CCC(=Cc2cc(Br)cs2)C1
InChIInChI=1S/C10H12BrNS/c11-8-5-10(13-6-8)4-7-1-2-9(12)3-7/h4-6,9H,1-3,12H2
InChIKeyNZWOSUDBFBOVEL-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.41
Rot. Bonds1

About 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine

3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine (PubChem CID 79879708) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine
PubChem CID79879708
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine
SMILESNC1CCC(=Cc2cc(Br)cs2)C1
InChIInChI=1S/C10H12BrNS/c11-8-5-10(13-6-8)4-7-1-2-9(12)3-7/h4-6,9H,1-3,12H2
InChIKeyNZWOSUDBFBOVEL-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine (CID 79879708) is 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine is NC1CCC(=Cc2cc(Br)cs2)C1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine?
The InChIKey is NZWOSUDBFBOVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-8-5-10(13-6-8)4-7-1-2-9(12)3-7/h4-6,9H,1-3,12H2.
What are the key properties of 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine?
3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine has a molecular weight of 258.18 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methylidene]cyclopentan-1-amine is sourced from PubChem (CID 79879708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).