5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid

C11H16BrNO4S2 — CID 82683810

IUPAC5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H16BrNO4S2/c1-7(3-4-11(14)15)6-13-19(16,17)9-5-10(12)18-8(9)2/h5,7,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyWOOICQGHGQTYBW-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.60
Rot. Bonds7

About 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid

5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 82683810) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID82683810
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C11H16BrNO4S2/c1-7(3-4-11(14)15)6-13-19(16,17)9-5-10(12)18-8(9)2/h5,7,13H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyWOOICQGHGQTYBW-UHFFFAOYSA-N
XLogP2.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
5-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 103099828
5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
CID 114295520
5-[(3-bromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683808
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid (CID 82683810) is 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid is Cc1sc(Br)cc1S(=O)(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is WOOICQGHGQTYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-7(3-4-11(14)15)6-13-19(16,17)9-5-10(12)18-8(9)2/h5,7,13H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid?
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 370.29 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82683810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).