N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide

C10H21NO5S2 — CID 65113264

IUPACN-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO5S2/c1-3-10(2,12)8-11-18(15,16)9-4-6-17(13,14)7-5-9/h9,11-12H,3-8H2,1-2H3
InChIKeyNOOMBUHIJYDYIR-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.36
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide

N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 65113264) has the molecular formula C10H21NO5S2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID65113264
Molecular FormulaC10H21NO5S2
Molecular Weight299.41 g/mol
Exact Mass299.09
IUPAC NameN-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO5S2/c1-3-10(2,12)8-11-18(15,16)9-4-6-17(13,14)7-5-9/h9,11-12H,3-8H2,1-2H3
InChIKeyNOOMBUHIJYDYIR-UHFFFAOYSA-N
XLogP-0.36
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide (CID 65113264) is N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide is CCC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is NOOMBUHIJYDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S2/c1-3-10(2,12)8-11-18(15,16)9-4-6-17(13,14)7-5-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 299.41 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 65113264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).