N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide

C8H16ClNO3S — CID 66007184

IUPACN-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CC(Cl)C1
InChIInChI=1S/C8H16ClNO3S/c1-13-2-3-14(11,12)10-6-7-4-8(9)5-7/h7-8,10H,2-6H2,1H3
InChIKeyXQDCEPHLIMCDKC-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.57
Rot. Bonds6

About N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide

N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 66007184) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide
PubChem CID66007184
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC1CC(Cl)C1
InChIInChI=1S/C8H16ClNO3S/c1-13-2-3-14(11,12)10-6-7-4-8(9)5-7/h7-8,10H,2-6H2,1H3
InChIKeyXQDCEPHLIMCDKC-UHFFFAOYSA-N
XLogP0.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.57
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)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide (CID 66007184) is N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is XQDCEPHLIMCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-13-2-3-14(11,12)10-6-7-4-8(9)5-7/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide?
N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 66007184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).