(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone

C8H8BrNOS — CID 116576694

IUPAC(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone
SMILESNC1(C(=O)c2cscc2Br)CC1
InChIInChI=1S/C8H8BrNOS/c9-6-4-12-3-5(6)7(11)8(10)1-2-8/h3-4H,1-2,10H2
InChIKeyVRJCTRIHBOYGQO-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.18
Rot. Bonds2

About (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone

(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone (PubChem CID 116576694) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone
PubChem CID116576694
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone
SMILESNC1(C(=O)c2cscc2Br)CC1
InChIInChI=1S/C8H8BrNOS/c9-6-4-12-3-5(6)7(11)8(10)1-2-8/h3-4H,1-2,10H2
InChIKeyVRJCTRIHBOYGQO-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone (CID 116576694) is (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone is NC1(C(=O)c2cscc2Br)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is VRJCTRIHBOYGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-6-4-12-3-5(6)7(11)8(10)1-2-8/h3-4H,1-2,10H2.
What are the key properties of (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone?
(1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 246.13 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 116576694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).