4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid

C9H14N2O5S2 — CID 43361583

IUPAC4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H14N2O5S2/c1-6-8(17-9(14)10-6)18(15,16)11(2)5-3-4-7(12)13/h3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyNREIUGZZSBKBCD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.23
Rot. Bonds6

About 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid

4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid (PubChem CID 43361583) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid
PubChem CID43361583
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Name4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H14N2O5S2/c1-6-8(17-9(14)10-6)18(15,16)11(2)5-3-4-7(12)13/h3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyNREIUGZZSBKBCD-UHFFFAOYSA-N
XLogP0.23
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid (CID 43361583) is 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid?
The InChIKey is NREIUGZZSBKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-6-8(17-9(14)10-6)18(15,16)11(2)5-3-4-7(12)13/h3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid?
4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]butanoic acid is sourced from PubChem (CID 43361583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).