(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid

C10H14BrNO4S2 — CID 113353088

IUPAC(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO4S2/c1-10(2,3)8(9(13)14)12-18(15,16)7-5-4-6(11)17-7/h4-5,8,12H,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyMMSDLLCMZOOSBZ-QMMMGPOBSA-N
MW356.26 g/mol
LogP2.29
Rot. Bonds4

About (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid (PubChem CID 113353088) has the molecular formula C10H14BrNO4S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
PubChem CID113353088
Molecular FormulaC10H14BrNO4S2
Molecular Weight356.26 g/mol
Exact Mass354.95
IUPAC Name(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H14BrNO4S2/c1-10(2,3)8(9(13)14)12-18(15,16)7-5-4-6(11)17-7/h4-5,8,12H,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyMMSDLLCMZOOSBZ-QMMMGPOBSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-[[5-(4-methylphenyl)thiophen-2-yl]sulfonylamino]butanoic acid
CID 142978642
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43235784
3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678
2-[(4-iodophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468127
methyl 2-[(5-bromothiophen-2-yl)sulfonylamino]-2-phenylacetate
CID 3675533
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid (CID 113353088) is (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
The InChIKey is MMSDLLCMZOOSBZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO4S2/c1-10(2,3)8(9(13)14)12-18(15,16)7-5-4-6(11)17-7/h4-5,8,12H,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid has a molecular weight of 356.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 113353088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).