2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide

C10H12BrNOS2 — CID 164648866

IUPAC2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide
SMILESCC1CSCC1NC(=O)c1ccsc1Br
InChIInChI=1S/C10H12BrNOS2/c1-6-4-14-5-8(6)12-10(13)7-2-3-15-9(7)11/h2-3,6,8H,4-5H2,1H3,(H,12,13)
InChIKeySTAUPCAEXYZFDT-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.99
Rot. Bonds2

About 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide

2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide (PubChem CID 164648866) has the molecular formula C10H12BrNOS2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide
PubChem CID164648866
Molecular FormulaC10H12BrNOS2
Molecular Weight306.25 g/mol
Exact Mass304.95
IUPAC Name2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide
SMILESCC1CSCC1NC(=O)c1ccsc1Br
InChIInChI=1S/C10H12BrNOS2/c1-6-4-14-5-8(6)12-10(13)7-2-3-15-9(7)11/h2-3,6,8H,4-5H2,1H3,(H,12,13)
InChIKeySTAUPCAEXYZFDT-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-ethyl-2-methylcyclopropyl)thiophene-3-carboxamide
CID 164654018
4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
CID 154842057
(2-bromothiophen-3-yl)-cyclopentylmethanone
CID 164654275
1-methoxy-1-methyl-3-(4-methylthiolan-3-yl)urea
CID 130611608
2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide
CID 18422383
[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
CID 114285169
3-iodo-N-(2-methylcyclobutyl)thiophene-2-carboxamide
CID 130576413
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
4-bromo-N-(2-methylcycloheptyl)-2-sulfanylbenzamide
CID 107031479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide (CID 164648866) is 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide is CC1CSCC1NC(=O)c1ccsc1Br.
What is the InChIKey of 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide?
The InChIKey is STAUPCAEXYZFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS2/c1-6-4-14-5-8(6)12-10(13)7-2-3-15-9(7)11/h2-3,6,8H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide?
2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylthiolan-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 164648866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).