5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide

C10H17BrN2O2S2 — CID 79925416

IUPAC5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)N(C)C)sc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)12-6-8(2)13(3)4/h5,8,12H,6H2,1-4H3
InChIKeyGPCFGRVKEKLRMJ-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.05
Rot. Bonds5

About 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79925416) has the molecular formula C10H17BrN2O2S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
PubChem CID79925416
Molecular FormulaC10H17BrN2O2S2
Molecular Weight341.30 g/mol
Exact Mass339.99
IUPAC Name5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)N(C)C)sc1Br
InChIInChI=1S/C10H17BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)12-6-8(2)13(3)4/h5,8,12H,6H2,1-4H3
InChIKeyGPCFGRVKEKLRMJ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
N-[2-(dimethylamino)propyl]-5-(ethylaminomethyl)-4-methylthiophene-2-sulfonamide
CID 106017150
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methoxypropanoic acid
CID 104936772
2,5-dibromo-N-[2-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 80708425
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
4-amino-N-[2-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 61300006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide (CID 79925416) is 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC(C)N(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is GPCFGRVKEKLRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2S2/c1-7-5-9(16-10(7)11)17(14,15)12-6-8(2)13(3)4/h5,8,12H,6H2,1-4H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 341.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79925416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).