N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide

C10H19NO4S — CID 65112371

IUPACN-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCC(C)(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-3-10(2,13)7-11-9(12)8-4-5-16(14,15)6-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyBVQCVOXIUDYVON-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.30
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide

N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 65112371) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID65112371
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCC(C)(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S/c1-3-10(2,13)7-11-9(12)8-4-5-16(14,15)6-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyBVQCVOXIUDYVON-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide (CID 65112371) is N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide is CCC(C)(O)CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is BVQCVOXIUDYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-10(2,13)7-11-9(12)8-4-5-16(14,15)6-8/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 249.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 65112371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).