N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide

C11H22ClNO3S — CID 114632251

IUPACN-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(Cl)C1(C)C
InChIInChI=1S/C11H22ClNO3S/c1-8(2)16-5-6-17(14,15)13-10-7-9(12)11(10,3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyFVLITXIQDHMOGM-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.74
Rot. Bonds6

About N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide

N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 114632251) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID114632251
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(Cl)C1(C)C
InChIInChI=1S/C11H22ClNO3S/c1-8(2)16-5-6-17(14,15)13-10-7-9(12)11(10,3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyFVLITXIQDHMOGM-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.74
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-(1-chloro-4-methylpentan-2-yl)-2-ethoxyethanesulfonamide
CID 65030576
N-(1-chloro-4-methylpentan-2-yl)-3-methoxypropane-1-sulfonamide
CID 65030628
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-(3-chlorocyclobutyl)-2-ethoxyethanesulfonamide
CID 65973715
N-[(3-chlorocyclobutyl)methyl]-2-ethoxyethanesulfonamide
CID 66004398
N-[(3-chlorocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
CID 66005033
N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide
CID 66007184
N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79600701
N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600792
N-(1-chloro-3-methylbutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79600881
N-(1-chloro-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79601218
N-(5-chloropentan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 80292269

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide (CID 114632251) is N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CC(Cl)C1(C)C.
What is the InChIKey of N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is FVLITXIQDHMOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-8(2)16-5-6-17(14,15)13-10-7-9(12)11(10,3)4/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-chloro-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.74, 6 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-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 114632251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).