N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide

C9H20N2O4S2 — CID 62084225

IUPACN-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCCC(CN)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O4S2/c1-2-8(7-10)11-17(14,15)9-3-5-16(12,13)6-4-9/h8-9,11H,2-7,10H2,1H3
InChIKeyUWZCAUVMFXKZNG-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.78
Rot. Bonds5

About N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide

N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62084225) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62084225
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCCC(CN)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O4S2/c1-2-8(7-10)11-17(14,15)9-3-5-16(12,13)6-4-9/h8-9,11H,2-7,10H2,1H3
InChIKeyUWZCAUVMFXKZNG-UHFFFAOYSA-N
XLogP-0.78
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide (CID 62084225) is N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide is CCC(CN)NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is UWZCAUVMFXKZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-2-8(7-10)11-17(14,15)9-3-5-16(12,13)6-4-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide?
N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62084225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).