(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid

C10H15NO4S2 — CID 42255745

IUPAC(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)s1
InChIInChI=1S/C10H15NO4S2/c1-6(2)9(10(12)13)11-17(14,15)8-5-4-7(3)16-8/h4-6,9,11H,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyPVJWHQPMEYJRMC-SECBINFHSA-N
MW277.37 g/mol
LogP1.44
Rot. Bonds5

About (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid

(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid (PubChem CID 42255745) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
PubChem CID42255745
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)s1
InChIInChI=1S/C10H15NO4S2/c1-6(2)9(10(12)13)11-17(14,15)8-5-4-7(3)16-8/h4-6,9,11H,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyPVJWHQPMEYJRMC-SECBINFHSA-N
XLogP1.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 122067984
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
(2S)-3-methyl-2-[[4-[2-(5-methylthiophen-2-yl)ethynyl]phenyl]sulfonylamino]butanoic acid
CID 71412738
2-[[5-[2-(ethylsulfonylamino)ethyl]thiophen-2-yl]sulfonylamino]-3-methylbutanoic acid
CID 122067981
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
3-methyl-2-[[4-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]phenyl]sulfonylamino]butanoic acid
CID 11223894

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid (CID 42255745) is (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid is Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)s1.
What is the InChIKey of (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The InChIKey is PVJWHQPMEYJRMC-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-6(2)9(10(12)13)11-17(14,15)8-5-4-7(3)16-8/h4-6,9,11H,1-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 42255745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).