2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C7H13NO4S — CID 16768977

IUPAC2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CO)CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S/c1-7(8-6(10)4-9)2-3-13(11,12)5-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyQLDZYZOESDEEQA-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.33
Rot. Bonds2

About 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 16768977) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID16768977
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CO)CCS(=O)(=O)C1
InChIInChI=1S/C7H13NO4S/c1-7(8-6(10)4-9)2-3-13(11,12)5-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyQLDZYZOESDEEQA-UHFFFAOYSA-N
XLogP-1.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 66128070
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43237327
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
5-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)hexanamide
CID 82848148
2-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839849
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 78942177

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 16768977) is 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)CO)CCS(=O)(=O)C1.
What is the InChIKey of 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is QLDZYZOESDEEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-7(8-6(10)4-9)2-3-13(11,12)5-7/h9H,2-5H2,1H3,(H,8,10).
What are the key properties of 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 207.25 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 16768977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).