(4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone

C10H12BrNO2S — CID 116563212

IUPAC(4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone
SMILESCC1(C(=O)c2cscc2Br)COCC1N
InChIInChI=1S/C10H12BrNO2S/c1-10(5-14-2-8(10)12)9(13)6-3-15-4-7(6)11/h3-4,8H,2,5,12H2,1H3
InChIKeyFYPBIRBROIEUFH-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.06
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone (PubChem CID 116563212) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone
PubChem CID116563212
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone
SMILESCC1(C(=O)c2cscc2Br)COCC1N
InChIInChI=1S/C10H12BrNO2S/c1-10(5-14-2-8(10)12)9(13)6-3-15-4-7(6)11/h3-4,8H,2,5,12H2,1H3
InChIKeyFYPBIRBROIEUFH-UHFFFAOYSA-N
XLogP2.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone (CID 116563212) is (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone is CC1(C(=O)c2cscc2Br)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is FYPBIRBROIEUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-10(5-14-2-8(10)12)9(13)6-3-15-4-7(6)11/h3-4,8H,2,5,12H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 290.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 116563212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).