N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide

C11H21NO4S — CID 65113596

IUPACN-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-3-11(14,4-2)8-12-10(13)9-5-6-17(15,16)7-9/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyMIGRAZXCEVIBLK-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.09
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 65113596) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID65113596
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H21NO4S/c1-3-11(14,4-2)8-12-10(13)9-5-6-17(15,16)7-9/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyMIGRAZXCEVIBLK-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide (CID 65113596) is N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide is CCC(O)(CC)CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is MIGRAZXCEVIBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-11(14,4-2)8-12-10(13)9-5-6-17(15,16)7-9/h9,14H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 65113596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).