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

C11H23NO5S2 — CID 103835249

IUPACN-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO5S2/c1-3-6-11(2,13)9-12-19(16,17)10-4-7-18(14,15)8-5-10/h10,12-13H,3-9H2,1-2H3
InChIKeyZUPWRCYIUPPZMS-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.03
Rot. Bonds6

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

N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 103835249) has the molecular formula C11H23NO5S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID103835249
Molecular FormulaC11H23NO5S2
Molecular Weight313.44 g/mol
Exact Mass313.10
IUPAC NameN-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H23NO5S2/c1-3-6-11(2,13)9-12-19(16,17)10-4-7-18(14,15)8-5-10/h10,12-13H,3-9H2,1-2H3
InChIKeyZUPWRCYIUPPZMS-UHFFFAOYSA-N
XLogP0.03
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.03
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-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide (CID 103835249) is N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide is CCCC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is ZUPWRCYIUPPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S2/c1-3-6-11(2,13)9-12-19(16,17)10-4-7-18(14,15)8-5-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 313.44 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 103835249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).