N-butyl-1,1-dioxothiolane-3-sulfonamide

C8H17NO4S2 — CID 3439064

IUPACN-butyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-2-3-5-9-15(12,13)8-4-6-14(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyCKRIHCSJQFWBEG-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.11
Rot. Bonds5

About N-butyl-1,1-dioxothiolane-3-sulfonamide

N-butyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 3439064) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-butyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID3439064
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN-butyl-1,1-dioxothiolane-3-sulfonamide
SMILESCCCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-2-3-5-9-15(12,13)8-4-6-14(10,11)7-8/h8-9H,2-7H2,1H3
InChIKeyCKRIHCSJQFWBEG-UHFFFAOYSA-N
XLogP-0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-butyl-1,1-dioxothiolane-3-sulfonamide (CID 3439064) is N-butyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-butyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-butyl-1,1-dioxothiolane-3-sulfonamide is CCCCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is CKRIHCSJQFWBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-2-3-5-9-15(12,13)8-4-6-14(10,11)7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-butyl-1,1-dioxothiolane-3-sulfonamide?
N-butyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 3439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).