N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide

C12H20N2O2S — CID 63834583

IUPACN-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S/c1-10(2)7-8-17(15,16)14-12-5-3-11(9-13)4-6-12/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyIZFMYHALWCUOKI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.93
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide

N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide (PubChem CID 63834583) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
PubChem CID63834583
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H20N2O2S/c1-10(2)7-8-17(15,16)14-12-5-3-11(9-13)4-6-12/h3-6,10,14H,7-9,13H2,1-2H3
InChIKeyIZFMYHALWCUOKI-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
4-(aminomethyl)-N-(methylsulfamoyl)aniline
CID 112704468
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
CID 63003353
N-(3,4-dicyanophenyl)-3-methylbutane-1-sulfonamide
CID 107796552
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
N-[3-(3-bromopropyl)phenyl]-3-methylbutane-1-sulfonamide
CID 113397929
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[4-(chloromethyl)phenyl]-2-methylpropane-1-sulfonamide
CID 65031169

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide (CID 63834583) is N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide?
The InChIKey is IZFMYHALWCUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10(2)7-8-17(15,16)14-12-5-3-11(9-13)4-6-12/h3-6,10,14H,7-9,13H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide?
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63834583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).