N-butan-2-yl-1,1-dioxothiane-4-sulfonamide

C9H19NO4S2 — CID 62735179

IUPACN-butan-2-yl-1,1-dioxothiane-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S2/c1-3-8(2)10-16(13,14)9-4-6-15(11,12)7-5-9/h8-10H,3-7H2,1-2H3
InChIKeyWXZLGSCXGMPHQG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.28
Rot. Bonds4

About N-butan-2-yl-1,1-dioxothiane-4-sulfonamide

N-butan-2-yl-1,1-dioxothiane-4-sulfonamide (PubChem CID 62735179) has the molecular formula C9H19NO4S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-butan-2-yl-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1,1-dioxothiane-4-sulfonamide
PubChem CID62735179
Molecular FormulaC9H19NO4S2
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC NameN-butan-2-yl-1,1-dioxothiane-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S2/c1-3-8(2)10-16(13,14)9-4-6-15(11,12)7-5-9/h8-10H,3-7H2,1-2H3
InChIKeyWXZLGSCXGMPHQG-UHFFFAOYSA-N
XLogP0.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-butan-2-yl-1,1-dioxothiane-4-sulfonamide (CID 62735179) is N-butan-2-yl-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-butan-2-yl-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-butan-2-yl-1,1-dioxothiane-4-sulfonamide is CCC(C)NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-butan-2-yl-1,1-dioxothiane-4-sulfonamide?
The InChIKey is WXZLGSCXGMPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S2/c1-3-8(2)10-16(13,14)9-4-6-15(11,12)7-5-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-1,1-dioxothiane-4-sulfonamide?
N-butan-2-yl-1,1-dioxothiane-4-sulfonamide has a molecular weight of 269.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62735179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).