(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid

C11H16N2O5S2 — CID 61454387

IUPAC(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)s1
InChIInChI=1S/C11H16N2O5S2/c1-2-7-3-6-10(19-7)20(17,18)13-8(11(15)16)4-5-9(12)14/h3,6,8,13H,2,4-5H2,1H3,(H2,12,14)(H,15,16)/t8-/m0/s1
InChIKeyOUEBGZNZIBWGKE-QMMMGPOBSA-N
MW320.39 g/mol
LogP0.31
Rot. Bonds8

About (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 61454387) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
PubChem CID61454387
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)s1
InChIInChI=1S/C11H16N2O5S2/c1-2-7-3-6-10(19-7)20(17,18)13-8(11(15)16)4-5-9(12)14/h3,6,8,13H,2,4-5H2,1H3,(H2,12,14)(H,15,16)/t8-/m0/s1
InChIKeyOUEBGZNZIBWGKE-QMMMGPOBSA-N
XLogP0.31
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 82780936
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935678
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid (CID 61454387) is (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid is CCc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)s1.
What is the InChIKey of (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is OUEBGZNZIBWGKE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-2-7-3-6-10(19-7)20(17,18)13-8(11(15)16)4-5-9(12)14/h3,6,8,13H,2,4-5H2,1H3,(H2,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 320.39 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61454387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).