N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide

C9H18ClNO3S — CID 79600701

IUPACN-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(Cl)C1
InChIInChI=1S/C9H18ClNO3S/c1-7(2)14-3-4-15(12,13)11-9-5-8(10)6-9/h7-9,11H,3-6H2,1-2H3
InChIKeyFVXAMPOGCZFPAO-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.10
Rot. Bonds6

About N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide

N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600701) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79600701
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC NameN-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(Cl)C1
InChIInChI=1S/C9H18ClNO3S/c1-7(2)14-3-4-15(12,13)11-9-5-8(10)6-9/h7-9,11H,3-6H2,1-2H3
InChIKeyFVXAMPOGCZFPAO-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide (CID 79600701) is N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CC(Cl)C1.
What is the InChIKey of N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is FVXAMPOGCZFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-7(2)14-3-4-15(12,13)11-9-5-8(10)6-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorocyclobutyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).