2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

C12H23NO4S2 — CID 103750856

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO4S2/c1-9(2)11(3-5-14)13-12(15)7-18-10-4-6-19(16,17)8-10/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyYFQXIKIKXDMVJA-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.43
Rot. Bonds7

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 103750856) has the molecular formula C12H23NO4S2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID103750856
Molecular FormulaC12H23NO4S2
Molecular Weight309.45 g/mol
Exact Mass309.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(CCO)NC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO4S2/c1-9(2)11(3-5-14)13-12(15)7-18-10-4-6-19(16,17)8-10/h9-11,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyYFQXIKIKXDMVJA-UHFFFAOYSA-N
XLogP0.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 9373102
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 9373103
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 9373104
N-(1-hydroxybutan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 43418031
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43500361
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43500433
N-(1-hydroxy-4-methylpentan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 61245640
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61245770
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylsulfonylpropanamide
CID 61246481
2-(1,1-dioxothiolan-3-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246952
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylsulfonylacetamide
CID 64019591
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031720

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 103750856) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is CC(C)C(CCO)NC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is YFQXIKIKXDMVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S2/c1-9(2)11(3-5-14)13-12(15)7-18-10-4-6-19(16,17)8-10/h9-11,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 309.45 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 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-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103750856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).