2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

C12H21NO4S — CID 100842514

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1
InChIInChI=1S/C12H21NO4S/c1-9(11-3-2-5-17-11)13-12(14)7-10-4-6-18(15,16)8-10/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10+,11-/m0/s1
InChIKeyFQGZOQXOLMEZES-AXFHLTTASA-N
MW275.37 g/mol
LogP0.49
Rot. Bonds4

About 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (PubChem CID 100842514) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
PubChem CID100842514
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1
InChIInChI=1S/C12H21NO4S/c1-9(11-3-2-5-17-11)13-12(14)7-10-4-6-18(15,16)8-10/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10+,11-/m0/s1
InChIKeyFQGZOQXOLMEZES-AXFHLTTASA-N
XLogP0.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide with MolForge

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Related Compounds

1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 100848596
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252269
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 21179604
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
3,5-dimethyl-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 60507165
2-(3-methylpiperidin-2-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 107147559
2-cyclohexyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]acetamide
CID 95313447
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 65189052

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (CID 100842514) is 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is FQGZOQXOLMEZES-AXFHLTTASA-N. The full InChI is InChI=1S/C12H21NO4S/c1-9(11-3-2-5-17-11)13-12(14)7-10-4-6-18(15,16)8-10/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10+,11-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 275.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 100842514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).