3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

C8H15NO7S2 — CID 66173824

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)C1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C8H15NO7S2/c1-8(12,7(10)11)5-9-18(15,16)6-2-3-17(13,14)4-6/h6,9,12H,2-5H2,1H3,(H,10,11)
InChIKeySPPBSGWBPVDPEJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP-2.07
Rot. Bonds5

About 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid

3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173824) has the molecular formula C8H15NO7S2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66173824
Molecular FormulaC8H15NO7S2
Molecular Weight301.34 g/mol
Exact Mass301.03
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNS(=O)(=O)C1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C8H15NO7S2/c1-8(12,7(10)11)5-9-18(15,16)6-2-3-17(13,14)4-6/h6,9,12H,2-5H2,1H3,(H,10,11)
InChIKeySPPBSGWBPVDPEJ-UHFFFAOYSA-N
XLogP-2.07
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
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

4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide
CID 106144171
2-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoic acid
CID 81227757
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006725
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
N-(5-amino-2,2-dimethylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106141685
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid (CID 66173824) is 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNS(=O)(=O)C1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is SPPBSGWBPVDPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO7S2/c1-8(12,7(10)11)5-9-18(15,16)6-2-3-17(13,14)4-6/h6,9,12H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 301.34 g/mol, XLogP of -2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).