N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide

C10H19NO4S — CID 95586858

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
SMILESCCCN(C(=O)COC)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-3-5-11(10(12)7-15-2)9-4-6-16(13,14)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyUXYCVABXQAEAHZ-VIFPVBQESA-N
MW249.33 g/mol
LogP0.06
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide (PubChem CID 95586858) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
PubChem CID95586858
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
SMILESCCCN(C(=O)COC)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-3-5-11(10(12)7-15-2)9-4-6-16(13,14)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyUXYCVABXQAEAHZ-VIFPVBQESA-N
XLogP0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxyethoxy)-N-(2-methoxyethyl)acetamide
CID 103606749
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949711
2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 55327740
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 78767226
4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
CID 120559052
[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790146
methyl 3-[[(3S)-1,1-dioxothiolan-3-yl]-pentanoylamino]propanoate
CID 39884771
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide (CID 95586858) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide is CCCN(C(=O)COC)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide?
The InChIKey is UXYCVABXQAEAHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-5-11(10(12)7-15-2)9-4-6-16(13,14)8-9/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide has a molecular weight of 249.33 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide is sourced from PubChem (CID 95586858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).