2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

C10H19NO4S — CID 103920095

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-2-9(6-12)11-10(13)5-8-3-4-16(14,15)7-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t8?,9-/m1/s1
InChIKeyKBQCRCZGFWFKRE-YGPZHTELSA-N
MW249.33 g/mol
LogP-0.30
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (PubChem CID 103920095) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
PubChem CID103920095
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-2-9(6-12)11-10(13)5-8-3-4-16(14,15)7-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t8?,9-/m1/s1
InChIKeyKBQCRCZGFWFKRE-YGPZHTELSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 97096207
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252269
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 43649111
N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 103919820
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43649140
N-butan-2-yl-2-(1,1-dioxothian-4-yl)acetamide
CID 110848488
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 21179604
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (CID 103920095) is 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is CC[C@H](CO)NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is KBQCRCZGFWFKRE-YGPZHTELSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-9(6-12)11-10(13)5-8-3-4-16(14,15)7-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t8?,9-/m1/s1.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 249.33 g/mol, XLogP of -0.30, 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-[(2R)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 103920095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).