N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide

C10H20ClNO3S — CID 79600792

IUPACN-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CC(Cl)C1
InChIInChI=1S/C10H20ClNO3S/c1-8(2)15-3-4-16(13,14)12-7-9-5-10(11)6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyWLUBQLHAQIRVAG-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.35
Rot. Bonds7

About N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79600792) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79600792
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CC(Cl)C1
InChIInChI=1S/C10H20ClNO3S/c1-8(2)15-3-4-16(13,14)12-7-9-5-10(11)6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyWLUBQLHAQIRVAG-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 79600792) is N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is WLUBQLHAQIRVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-8(2)15-3-4-16(13,14)12-7-9-5-10(11)6-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(3-chlorocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.35, 7 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-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79600792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).