N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide

C10H20ClNO3S — CID 115365332

IUPACN-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
SMILESCC(C)(CCl)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20ClNO3S/c1-10(2,7-11)8-12-16(13,14)9-3-5-15-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyLVWNYZSMCNWZPN-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.35
Rot. Bonds5

About N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide

N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide (PubChem CID 115365332) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
PubChem CID115365332
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide
SMILESCC(C)(CCl)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20ClNO3S/c1-10(2,7-11)8-12-16(13,14)9-3-5-15-6-4-9/h9,12H,3-8H2,1-2H3
InChIKeyLVWNYZSMCNWZPN-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
CID 115365303
2,2-dimethyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 115427404
N-tert-butyloxane-4-sulfonamide
CID 63239343
N-(3-amino-2,2-dimethylpropyl)cyclobutanesulfonamide
CID 115270992
N-[2,2-dimethyl-3-(methylamino)propyl]cyclopentanesulfonamide
CID 115271131
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-[2-(2-chloroethoxy)ethyl]oxane-4-sulfonamide
CID 65033634
N-[2-(2-chloroethyl)pentyl]oxane-4-sulfonamide
CID 114145876
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
N-[(4-chlorocyclohexyl)methyl]oxane-4-sulfonamide
CID 114148389
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide (CID 115365332) is N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide is CC(C)(CCl)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide?
The InChIKey is LVWNYZSMCNWZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-10(2,7-11)8-12-16(13,14)9-3-5-15-6-4-9/h9,12H,3-8H2,1-2H3.
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide?
N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)oxane-4-sulfonamide is sourced from PubChem (CID 115365332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).