2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide

C9H17NO3S — CID 171049196

IUPAC2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-7(2)10-9(11)5-8-3-4-14(12,13)6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyYXJJDJCXKVFDHW-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.34
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide

2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide (PubChem CID 171049196) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
PubChem CID171049196
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-7(2)10-9(11)5-8-3-4-14(12,13)6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyYXJJDJCXKVFDHW-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-4-methylpentanoic acid
CID 21179604
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 100842514
2-(1,1-dioxothiolan-3-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920095
N-butan-2-yl-2-(1,1-dioxothian-3-yl)acetamide
CID 110848491
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 43649111
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-(2-amino-1-cyclopropylethyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 65189052
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
N-butan-2-yl-2-(1,1-dioxothian-4-yl)acetamide
CID 110848488
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 107846359

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide (CID 171049196) is 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide?
The InChIKey is YXJJDJCXKVFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7(2)10-9(11)5-8-3-4-14(12,13)6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide has a molecular weight of 219.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 171049196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).