N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide

C9H17NO4S — CID 60743082

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-2-9(12)10(4-5-11)8-3-6-15(13,14)7-8/h8,11H,2-7H2,1H3
InChIKeyFOQUXJZTJHXOCW-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.60
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 60743082) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID60743082
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO4S/c1-2-9(12)10(4-5-11)8-3-6-15(13,14)7-8/h8,11H,2-7H2,1H3
InChIKeyFOQUXJZTJHXOCW-UHFFFAOYSA-N
XLogP-0.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
CID 63374585
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
CID 99975558
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(prop-2-enylamino)acetamide
CID 79285029
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
CID 79345370
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide
CID 60945625
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978363

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide (CID 60743082) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide is CCC(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is FOQUXJZTJHXOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-9(12)10(4-5-11)8-3-6-15(13,14)7-8/h8,11H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 235.30 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 60743082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).