(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone

C9H10BrNOS — CID 116917728

IUPAC(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone
SMILESNC1CC(C(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C9H10BrNOS/c10-6-3-8(13-4-6)9(12)5-1-7(11)2-5/h3-5,7H,1-2,11H2
InChIKeyJRXNYFKGPJDSPE-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.43
Rot. Bonds2

About (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone

(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone (PubChem CID 116917728) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone
PubChem CID116917728
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone
SMILESNC1CC(C(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C9H10BrNOS/c10-6-3-8(13-4-6)9(12)5-1-7(11)2-5/h3-5,7H,1-2,11H2
InChIKeyJRXNYFKGPJDSPE-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone?
The IUPAC name of (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone (CID 116917728) is (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone.
What is the SMILES notation for (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone?
The canonical SMILES for (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone is NC1CC(C(=O)c2cc(Br)cs2)C1.
What is the InChIKey of (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone?
The InChIKey is JRXNYFKGPJDSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-6-3-8(13-4-6)9(12)5-1-7(11)2-5/h3-5,7H,1-2,11H2.
What are the key properties of (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone?
(3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone has a molecular weight of 260.16 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)-(4-bromothiophen-2-yl)methanone is sourced from PubChem (CID 116917728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).