1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide

C9H14N2O2S — CID 9106618

IUPAC1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyDWCPYDOKYHSAOI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.19
Rot. Bonds4

About 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide

1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 9106618) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID9106618
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyDWCPYDOKYHSAOI-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide (CID 9106618) is 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is DWCPYDOKYHSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-11-14(12,13)7-9-5-3-2-4-8(9)6-10/h2-5,11H,6-7,10H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.19, 4 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-methylmethanesulfonamide is sourced from PubChem (CID 9106618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).