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

C8H18N2O4S2 — CID 57067965

IUPACN-tert-butyl-1,1-dioxothiazinane-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCCS(=O)(=O)N1
InChIInChI=1S/C8H18N2O4S2/c1-8(2,3)10-16(13,14)7-5-4-6-15(11,12)9-7/h7,9-10H,4-6H2,1-3H3
InChIKeyOUMKROVBIPYPQA-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.26
Rot. Bonds2

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

N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide (PubChem CID 57067965) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1,1-dioxothiazinane-3-sulfonamide
PubChem CID57067965
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-tert-butyl-1,1-dioxothiazinane-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCCS(=O)(=O)N1
InChIInChI=1S/C8H18N2O4S2/c1-8(2,3)10-16(13,14)7-5-4-6-15(11,12)9-7/h7,9-10H,4-6H2,1-3H3
InChIKeyOUMKROVBIPYPQA-UHFFFAOYSA-N
XLogP-0.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide?
The IUPAC name of N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide (CID 57067965) is N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide?
The canonical SMILES for N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide is CC(C)(C)NS(=O)(=O)C1CCCS(=O)(=O)N1.
What is the InChIKey of N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide?
The InChIKey is OUMKROVBIPYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-8(2,3)10-16(13,14)7-5-4-6-15(11,12)9-7/h7,9-10H,4-6H2,1-3H3.
What are the key properties of N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide?
N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-dioxothiazinane-3-sulfonamide is sourced from PubChem (CID 57067965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).