5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide

C10H12BrNOS2 — CID 97079031

IUPAC5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1CCCS1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNOS2/c11-9-4-3-8(15-9)10(13)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,12,13)/t7-/m0/s1
InChIKeyIDMXHUAFWKYOSV-ZETCQYMHSA-N
MW306.25 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide

5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 97079031) has the molecular formula C10H12BrNOS2 and a molecular weight of 306.25 g/mol. Its IUPAC name is 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID97079031
Molecular FormulaC10H12BrNOS2
Molecular Weight306.25 g/mol
Exact Mass304.95
IUPAC Name5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H]1CCCS1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNOS2/c11-9-4-3-8(15-9)10(13)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,12,13)/t7-/m0/s1
InChIKeyIDMXHUAFWKYOSV-ZETCQYMHSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
CID 106854161
5-(4-hydroxybut-1-ynyl)-N-(thiolan-2-ylmethyl)thiophene-2-carboxamide
CID 80586290
5-bromo-4-methyl-N-(thian-2-ylmethyl)thiophene-2-carboxamide
CID 80600317
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide (CID 97079031) is 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@@H]1CCCS1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IDMXHUAFWKYOSV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrNOS2/c11-9-4-3-8(15-9)10(13)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide?
5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 97079031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).