N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide

C8H17NO4S2 — CID 6624797

IUPACN-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-7(2)5-9-15(12,13)8-3-4-14(10,11)6-8/h7-9H,3-6H2,1-2H3
InChIKeyWJBVSHWHCVOBJJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.25
Rot. Bonds4

About N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide

N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 6624797) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID6624797
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-7(2)5-9-15(12,13)8-3-4-14(10,11)6-8/h7-9H,3-6H2,1-2H3
InChIKeyWJBVSHWHCVOBJJ-UHFFFAOYSA-N
XLogP-0.25
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide (CID 6624797) is N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide is CC(C)CNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is WJBVSHWHCVOBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-7(2)5-9-15(12,13)8-3-4-14(10,11)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide?
N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 6624797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).