2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate

C11H19NO7S — CID 99977562

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate
SMILESO=C(N[C@@H]1C=CS(=O)(=O)C1)OCCOCCOCCO
InChIInChI=1S/C11H19NO7S/c13-2-3-17-4-5-18-6-7-19-11(14)12-10-1-8-20(15,16)9-10/h1,8,10,13H,2-7,9H2,(H,12,14)/t10-/m1/s1
InChIKeyUWEOFVLGINDIHW-SNVBAGLBSA-N
MW309.34 g/mol
LogP-0.95
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate (PubChem CID 99977562) has the molecular formula C11H19NO7S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate
PubChem CID99977562
Molecular FormulaC11H19NO7S
Molecular Weight309.34 g/mol
Exact Mass309.09
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate
SMILESO=C(N[C@@H]1C=CS(=O)(=O)C1)OCCOCCOCCO
InChIInChI=1S/C11H19NO7S/c13-2-3-17-4-5-18-6-7-19-11(14)12-10-1-8-20(15,16)9-10/h1,8,10,13H,2-7,9H2,(H,12,14)/t10-/m1/s1
InChIKeyUWEOFVLGINDIHW-SNVBAGLBSA-N
XLogP-0.95
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

O-ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamothioate
CID 43827766
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-propylurea
CID 102551532
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990097
1-butyl-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 43828062
3-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 95125841
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]carbamothioate
CID 99977553
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801707
methyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
CID 3359332
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-prop-2-enylthiourea
CID 3640731

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate (CID 99977562) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate is O=C(N[C@@H]1C=CS(=O)(=O)C1)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate?
The InChIKey is UWEOFVLGINDIHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO7S/c13-2-3-17-4-5-18-6-7-19-11(14)12-10-1-8-20(15,16)9-10/h1,8,10,13H,2-7,9H2,(H,12,14)/t10-/m1/s1.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate has a molecular weight of 309.34 g/mol, XLogP of -0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamate is sourced from PubChem (CID 99977562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).