5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide

C9H12BrNO2S3 — CID 107297938

IUPAC5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S3/c10-8-1-2-9(15-8)16(12,13)11-5-7-3-4-14-6-7/h1-2,7,11H,3-6H2
InChIKeyLMWMQHLOYDRIFW-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.54
Rot. Bonds4

About 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide

5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 107297938) has the molecular formula C9H12BrNO2S3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID107297938
Molecular FormulaC9H12BrNO2S3
Molecular Weight342.31 g/mol
Exact Mass340.92
IUPAC Name5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S3/c10-8-1-2-9(15-8)16(12,13)11-5-7-3-4-14-6-7/h1-2,7,11H,3-6H2
InChIKeyLMWMQHLOYDRIFW-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129335423
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 22430654
2-bromo-5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089115
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide (CID 107297938) is 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCC1CCSC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LMWMQHLOYDRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S3/c10-8-1-2-9(15-8)16(12,13)11-5-7-3-4-14-6-7/h1-2,7,11H,3-6H2.
What are the key properties of 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide?
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 342.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107297938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).