N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide

C9H14N2O2S — CID 21097530

IUPACN-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(CN)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7-5-8(6-10)3-4-9(7)11-14(2,12)13/h3-5,11H,6,10H2,1-2H3
InChIKeyKVMGACLGAPIBKN-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.83
Rot. Bonds3

About N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide

N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide (PubChem CID 21097530) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide
PubChem CID21097530
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(CN)ccc1NS(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-7-5-8(6-10)3-4-9(7)11-14(2,12)13/h3-5,11H,6,10H2,1-2H3
InChIKeyKVMGACLGAPIBKN-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide (CID 21097530) is N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide is Cc1cc(CN)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide?
The InChIKey is KVMGACLGAPIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-5-8(6-10)3-4-9(7)11-14(2,12)13/h3-5,11H,6,10H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide?
N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 21097530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).