4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid

C8H15NO7S2 — CID 114006725

IUPAC4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO7S2/c10-7(8(11)12)1-3-9-18(15,16)6-2-4-17(13,14)5-6/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyWJDGWYJOCRMQCA-UHFFFAOYSA-N
MW301.34 g/mol
LogP-2.07
Rot. Bonds6

About 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid

4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid (PubChem CID 114006725) has the molecular formula C8H15NO7S2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
PubChem CID114006725
Molecular FormulaC8H15NO7S2
Molecular Weight301.34 g/mol
Exact Mass301.03
IUPAC Name4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO7S2/c10-7(8(11)12)1-3-9-18(15,16)6-2-4-17(13,14)5-6/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyWJDGWYJOCRMQCA-UHFFFAOYSA-N
XLogP-2.07
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 61145252
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
(2S)-2-[(1,1-dioxothiolan-3-yl)sulfonylamino]hexanoic acid
CID 107144936
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43351320
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81078936

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid (CID 114006725) is 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid is O=C(O)C(O)CCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid?
The InChIKey is WJDGWYJOCRMQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO7S2/c10-7(8(11)12)1-3-9-18(15,16)6-2-4-17(13,14)5-6/h6-7,9-10H,1-5H2,(H,11,12).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid?
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid has a molecular weight of 301.34 g/mol, XLogP of -2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114006725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).