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

C8H17NO4S2 — CID 2729439

IUPACN-tert-butyl-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-8(2,3)9-15(12,13)7-4-5-14(10,11)6-7/h7,9H,4-6H2,1-3H3
InChIKeySLTVWJNHXJZVNV-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.11
Rot. Bonds2

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

N-tert-butyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 2729439) has the molecular formula C8H17NO4S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-tert-butyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID2729439
Molecular FormulaC8H17NO4S2
Molecular Weight255.36 g/mol
Exact Mass255.06
IUPAC NameN-tert-butyl-1,1-dioxothiolane-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H17NO4S2/c1-8(2,3)9-15(12,13)7-4-5-14(10,11)6-7/h7,9H,4-6H2,1-3H3
InChIKeySLTVWJNHXJZVNV-UHFFFAOYSA-N
XLogP-0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-tert-butyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-tert-butyl-1,1-dioxothiolane-3-sulfonamide (CID 2729439) is N-tert-butyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-tert-butyl-1,1-dioxothiolane-3-sulfonamide is CC(C)(C)NS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-tert-butyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is SLTVWJNHXJZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S2/c1-8(2,3)9-15(12,13)7-4-5-14(10,11)6-7/h7,9H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-1,1-dioxothiolane-3-sulfonamide?
N-tert-butyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 2729439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).