2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide

C10H12BrNO2S — CID 106854161

IUPAC2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(NCC1CCCS1)c1ccoc1Br
InChIInChI=1S/C10H12BrNO2S/c11-9-8(3-4-14-9)10(13)12-6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyFLAOKKUHCLSLQI-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.67
Rot. Bonds3

About 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide

2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide (PubChem CID 106854161) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
PubChem CID106854161
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
SMILESO=C(NCC1CCCS1)c1ccoc1Br
InChIInChI=1S/C10H12BrNO2S/c11-9-8(3-4-14-9)10(13)12-6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyFLAOKKUHCLSLQI-UHFFFAOYSA-N
XLogP2.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97079031
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
2-bromo-5-sulfanyl-N-(thian-2-ylmethyl)benzamide
CID 107032840
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586098
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide (CID 106854161) is 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide is O=C(NCC1CCCS1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is FLAOKKUHCLSLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-8(3-4-14-9)10(13)12-6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2,(H,12,13).
What are the key properties of 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide?
2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106854161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).