1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide

C13H20N2O2S — CID 113485385

IUPAC1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)Cc2ccccc2CN)CCC1
InChIInChI=1S/C13H20N2O2S/c1-13(7-4-8-13)15-18(16,17)10-12-6-3-2-5-11(12)9-14/h2-3,5-6,15H,4,7-10,14H2,1H3
InChIKeyBYTWYMANPAQYOF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.51
Rot. Bonds5

About 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide (PubChem CID 113485385) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
PubChem CID113485385
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)Cc2ccccc2CN)CCC1
InChIInChI=1S/C13H20N2O2S/c1-13(7-4-8-13)15-18(16,17)10-12-6-3-2-5-11(12)9-14/h2-3,5-6,15H,4,7-10,14H2,1H3
InChIKeyBYTWYMANPAQYOF-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)benzenemethanesulfonamide
CID 9167228
N-(2-Amino-1-methyl-1-phenyl-ethyl)-benzenesulfonamide
CID 3122816
N-(4-phenylbutyl)ethanesulfonamide
CID 2179616
N-(3-phenylpropyl)ethanesulfonamide
CID 2167095
1-(2-(aminomethyl)phenyl)-N-methylmethanesulfonamide
CID 9106618
N-benzyl-2-(octylamino)ethanesulfonamide
CID 45479985
N-benzyl-2-(butylamino)ethanesulfonamide
CID 45479989
N-(1-Phenylethyl)methanesulfonamide
CID 380740
(E)-2-phenyl-N-(1-phenylethyl)ethenesulfonamide
CID 6144739
2-(benzylamino)-N-octylethanesulfonamide
CID 45479974
(R)-N-(2-phenylpropyl)propane-2-sulfonamide
CID 21893415
N-[(1R)-1-phenylethyl]ethenesulfonamide
CID 53240216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide (CID 113485385) is 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide is CC1(NS(=O)(=O)Cc2ccccc2CN)CCC1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide?
The InChIKey is BYTWYMANPAQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(7-4-8-13)15-18(16,17)10-12-6-3-2-5-11(12)9-14/h2-3,5-6,15H,4,7-10,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide is sourced from PubChem (CID 113485385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).