5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide

C12H21BrN2O2S2 — CID 54937883

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H21BrN2O2S2/c1-10(2)9-15(8-7-14(3)4)19(16,17)12-6-5-11(13)18-12/h5-6,10H,7-9H2,1-4H3
InChIKeyXKTDWHKDHQPVNZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.72
Rot. Bonds7

About 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide

5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 54937883) has the molecular formula C12H21BrN2O2S2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
PubChem CID54937883
Molecular FormulaC12H21BrN2O2S2
Molecular Weight369.35 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H21BrN2O2S2/c1-10(2)9-15(8-7-14(3)4)19(16,17)12-6-5-11(13)18-12/h5-6,10H,7-9H2,1-4H3
InChIKeyXKTDWHKDHQPVNZ-UHFFFAOYSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide (CID 54937883) is 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is XKTDWHKDHQPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2S2/c1-10(2)9-15(8-7-14(3)4)19(16,17)12-6-5-11(13)18-12/h5-6,10H,7-9H2,1-4H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide?
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 369.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54937883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).