2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

C11H21NO4S — CID 79252269

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CO)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-8(2)10(6-13)12-11(14)5-9-3-4-17(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9?,10-/m1/s1
InChIKeyRNQFHGIAJXGCTB-QVDQXJPCSA-N
MW263.36 g/mol
LogP-0.06
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 79252269) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID79252269
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CO)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-8(2)10(6-13)12-11(14)5-9-3-4-17(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9?,10-/m1/s1
InChIKeyRNQFHGIAJXGCTB-QVDQXJPCSA-N
XLogP-0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136
2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920095
2-cyclobutyl-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103164734
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 21179604
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 43649111
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 100842514
N-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 65189052
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
N-butan-2-yl-2-(1,1-dioxothian-4-yl)acetamide
CID 110848488

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 79252269) is 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](CO)NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is RNQFHGIAJXGCTB-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8(2)10(6-13)12-11(14)5-9-3-4-17(15,16)7-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9?,10-/m1/s1.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 263.36 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 79252269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).