N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide

C14H24N2O2S — CID 63834740

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H24N2O2S/c1-12(2)7-8-19(17,18)16(3)11-14-6-4-5-13(9-14)10-15/h4-6,9,12H,7-8,10-11,15H2,1-3H3
InChIKeyFFEBJGNZVASRFT-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.95
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide

N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide (PubChem CID 63834740) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
PubChem CID63834740
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C14H24N2O2S/c1-12(2)7-8-19(17,18)16(3)11-14-6-4-5-13(9-14)10-15/h4-6,9,12H,7-8,10-11,15H2,1-3H3
InChIKeyFFEBJGNZVASRFT-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-3-[[methyl(3-methylbutylsulfonyl)amino]methyl]benzenecarboximidamide
CID 77008650
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
CID 61065125
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188514
[3-(2-methylsulfonylethyl)phenyl]methanamine
CID 115028445
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide (CID 63834740) is N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)N(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is FFEBJGNZVASRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)7-8-19(17,18)16(3)11-14-6-4-5-13(9-14)10-15/h4-6,9,12H,7-8,10-11,15H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide?
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 63834740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).