N-(1,1-dioxothian-4-yl)propane-2-sulfonamide

C8H17NO4S2 — CID 64586481

IUPACN-(1,1-dioxothian-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO4S2/c1-7(2)15(12,13)9-8-3-5-14(10,11)6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyWRXCKDVADAFOFK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.11
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)propane-2-sulfonamide

N-(1,1-dioxothian-4-yl)propane-2-sulfonamide (PubChem CID 64586481) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)propane-2-sulfonamide
PubChem CID64586481
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN-(1,1-dioxothian-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO4S2/c1-7(2)15(12,13)9-8-3-5-14(10,11)6-4-8/h7-9H,3-6H2,1-2H3
InChIKeyWRXCKDVADAFOFK-UHFFFAOYSA-N
XLogP-0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)propane-2-sulfonamide (CID 64586481) is N-(1,1-dioxothian-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)propane-2-sulfonamide?
The InChIKey is WRXCKDVADAFOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-7(2)15(12,13)9-8-3-5-14(10,11)6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-4-yl)propane-2-sulfonamide?
N-(1,1-dioxothian-4-yl)propane-2-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 64586481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).