N-tert-butyloxane-4-sulfonamide

C9H19NO3S — CID 63239343

IUPACN-tert-butyloxane-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)10-14(11,12)8-4-6-13-7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyWZCJTSOYIZHEDW-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds2

About N-tert-butyloxane-4-sulfonamide

N-tert-butyloxane-4-sulfonamide (PubChem CID 63239343) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-tert-butyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-tert-butyloxane-4-sulfonamide
PubChem CID63239343
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-tert-butyloxane-4-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)10-14(11,12)8-4-6-13-7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyWZCJTSOYIZHEDW-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62521427
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
CID 115365332
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide
CID 130209119
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
N-(2-methoxyethoxy)oxane-4-sulfonamide
CID 82715938
N-(3-aminocyclobutyl)oxane-4-sulfonamide
CID 62050137
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-(4-aminobutan-2-yl)oxane-4-sulfonamide
CID 62093127
N-(3-azabicyclo[3.1.0]hexan-6-yl)oxane-4-sulfonamide
CID 62049954

Frequently Asked Questions

What is the IUPAC name of N-tert-butyloxane-4-sulfonamide?
The IUPAC name of N-tert-butyloxane-4-sulfonamide (CID 63239343) is N-tert-butyloxane-4-sulfonamide.
What is the SMILES notation for N-tert-butyloxane-4-sulfonamide?
The canonical SMILES for N-tert-butyloxane-4-sulfonamide is CC(C)(C)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-tert-butyloxane-4-sulfonamide?
The InChIKey is WZCJTSOYIZHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)10-14(11,12)8-4-6-13-7-5-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N-tert-butyloxane-4-sulfonamide?
N-tert-butyloxane-4-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyloxane-4-sulfonamide is sourced from PubChem (CID 63239343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).