2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

C11H19NO5S2 — CID 103848897

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC1(O)CCOC1
InChIInChI=1S/C11H19NO5S2/c13-10(12-7-11(14)2-3-17-8-11)5-18-9-1-4-19(15,16)6-9/h9,14H,1-8H2,(H,12,13)
InChIKeyNCOSLDLDNBEBKD-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.83
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (PubChem CID 103848897) has the molecular formula C11H19NO5S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
PubChem CID103848897
Molecular FormulaC11H19NO5S2
Molecular Weight309.41 g/mol
Exact Mass309.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC1(O)CCOC1
InChIInChI=1S/C11H19NO5S2/c13-10(12-7-11(14)2-3-17-8-11)5-18-9-1-4-19(15,16)6-9/h9,14H,1-8H2,(H,12,13)
InChIKeyNCOSLDLDNBEBKD-UHFFFAOYSA-N
XLogP-0.83
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751648
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 97243038
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 106100321

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (CID 103848897) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is O=C(CSC1CCS(=O)(=O)C1)NCC1(O)CCOC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The InChIKey is NCOSLDLDNBEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S2/c13-10(12-7-11(14)2-3-17-8-11)5-18-9-1-4-19(15,16)6-9/h9,14H,1-8H2,(H,12,13).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide has a molecular weight of 309.41 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 103848897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).