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

C12H21NO4S2 — CID 114751648

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC1(CCO)CC1
InChIInChI=1S/C12H21NO4S2/c14-5-4-12(2-3-12)9-13-11(15)7-18-10-1-6-19(16,17)8-10/h10,14H,1-9H2,(H,13,15)
InChIKeyKKVRNPWWFRXYFO-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.19
Rot. Bonds7

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

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 114751648) has the molecular formula C12H21NO4S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID114751648
Molecular FormulaC12H21NO4S2
Molecular Weight307.44 g/mol
Exact Mass307.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(CSC1CCS(=O)(=O)C1)NCC1(CCO)CC1
InChIInChI=1S/C12H21NO4S2/c14-5-4-12(2-3-12)9-13-11(15)7-18-10-1-6-19(16,17)8-10/h10,14H,1-9H2,(H,13,15)
InChIKeyKKVRNPWWFRXYFO-UHFFFAOYSA-N
XLogP0.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide with MolForge

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Related Compounds

2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103848897
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
N-cyano-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 79194937
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750856
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
N-[(4-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 78814527
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895256
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 96525545
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 98720693
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114631231

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 114751648) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is O=C(CSC1CCS(=O)(=O)C1)NCC1(CCO)CC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is KKVRNPWWFRXYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S2/c14-5-4-12(2-3-12)9-13-11(15)7-18-10-1-6-19(16,17)8-10/h10,14H,1-9H2,(H,13,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 114751648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).