N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide

C13H20N2O2S — CID 102676035

IUPACN-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CC(c2ccccc2)C1
InChIInChI=1S/C13H20N2O2S/c1-14-18(16,17)8-7-15-13-9-12(10-13)11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3
InChIKeyMYLPASIMIOQRGX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.07
Rot. Bonds6

About N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide

N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide (PubChem CID 102676035) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
PubChem CID102676035
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CC(c2ccccc2)C1
InChIInChI=1S/C13H20N2O2S/c1-14-18(16,17)8-7-15-13-9-12(10-13)11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3
InChIKeyMYLPASIMIOQRGX-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
CID 106333820
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339
N-cyclopropyl-3-[(3-phenylcyclobutyl)amino]propanamide
CID 79386458
N-methyl-3-phenylcyclobutane-1-sulfonamide
CID 165445875
3-[(3-phenylcyclobutyl)amino]propanenitrile
CID 43632270
N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 55097698
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
CID 54904499
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
CID 104926345

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide (CID 102676035) is N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide is CNS(=O)(=O)CCNC1CC(c2ccccc2)C1.
What is the InChIKey of N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide?
The InChIKey is MYLPASIMIOQRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-18(16,17)8-7-15-13-9-12(10-13)11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3.
What are the key properties of N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide?
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide is sourced from PubChem (CID 102676035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).