2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide

C11H21NO4S2 — CID 113476121

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)CSC1CCS(=O)(=O)C1)C(C)(C)CO
InChIInChI=1S/C11H21NO4S2/c1-11(2,8-13)12(3)10(14)6-17-9-4-5-18(15,16)7-9/h9,13H,4-8H2,1-3H3
InChIKeyKNKYNQPNOUWPBJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.14
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide (PubChem CID 113476121) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
PubChem CID113476121
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
SMILESCN(C(=O)CSC1CCS(=O)(=O)C1)C(C)(C)CO
InChIInChI=1S/C11H21NO4S2/c1-11(2,8-13)12(3)10(14)6-17-9-4-5-18(15,16)7-9/h9,13H,4-8H2,1-3H3
InChIKeyKNKYNQPNOUWPBJ-UHFFFAOYSA-N
XLogP0.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-methylacetamide
CID 52530451
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide
CID 124735827
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115637928
methyl 4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-methylamino]butanoate
CID 60714276
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79676127
2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid
CID 107434308
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63930411

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide (CID 113476121) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide is CN(C(=O)CSC1CCS(=O)(=O)C1)C(C)(C)CO.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
The InChIKey is KNKYNQPNOUWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-11(2,8-13)12(3)10(14)6-17-9-4-5-18(15,16)7-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide has a molecular weight of 295.43 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 113476121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).