5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide

C11H16BrNO2S3 — CID 115690359

IUPAC5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1CCSCC1
InChIInChI=1S/C11H16BrNO2S3/c1-8-10(6-11(12)17-8)18(14,15)13-7-9-2-4-16-5-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeyIEZCDRZUEZYKGD-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.24
Rot. Bonds4

About 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 115690359) has the molecular formula C11H16BrNO2S3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID115690359
Molecular FormulaC11H16BrNO2S3
Molecular Weight370.36 g/mol
Exact Mass368.95
IUPAC Name5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1CCSCC1
InChIInChI=1S/C11H16BrNO2S3/c1-8-10(6-11(12)17-8)18(14,15)13-7-9-2-4-16-5-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeyIEZCDRZUEZYKGD-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
CID 103748795
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
CID 128965320
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119986592
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide (CID 115690359) is 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC1CCSCC1.
What is the InChIKey of 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is IEZCDRZUEZYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S3/c1-8-10(6-11(12)17-8)18(14,15)13-7-9-2-4-16-5-3-9/h6,9,13H,2-5,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 370.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115690359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).