(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid

C10H15NO5S2 — CID 104933846

IUPAC(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCc1cc(S(=O)(=O)N[C@H](CCO)C(=O)O)c(C)s1
InChIInChI=1S/C10H15NO5S2/c1-6-5-9(7(2)17-6)18(15,16)11-8(3-4-12)10(13)14/h5,8,11-12H,3-4H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyKUTZITYCCOCPJP-MRVPVSSYSA-N
MW293.37 g/mol
LogP0.48
Rot. Bonds6

About (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid

(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 104933846) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID104933846
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
SMILESCc1cc(S(=O)(=O)N[C@H](CCO)C(=O)O)c(C)s1
InChIInChI=1S/C10H15NO5S2/c1-6-5-9(7(2)17-6)18(15,16)11-8(3-4-12)10(13)14/h5,8,11-12H,3-4H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyKUTZITYCCOCPJP-MRVPVSSYSA-N
XLogP0.48
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935690
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936097
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
(2R)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906673
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 104933894
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid (CID 104933846) is (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid is Cc1cc(S(=O)(=O)N[C@H](CCO)C(=O)O)c(C)s1.
What is the InChIKey of (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is KUTZITYCCOCPJP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-6-5-9(7(2)17-6)18(15,16)11-8(3-4-12)10(13)14/h5,8,11-12H,3-4H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid?
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 293.37 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 104933846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).