N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide

C9H14N2O2S — CID 28755678

IUPACN-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(CN)cc1)S(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-11(14(2,12)13)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3
InChIKeyXWCLCOIBKJCXIK-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.54
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide

N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 28755678) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID28755678
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(CN)cc1)S(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-11(14(2,12)13)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3
InChIKeyXWCLCOIBKJCXIK-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide (CID 28755678) is N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide is CN(c1ccc(CN)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is XWCLCOIBKJCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11(14(2,12)13)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 28755678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).