1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide

C14H24N2O2S — CID 43274531

IUPAC1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C14H24N2O2S/c1-4-12(3)16(5-2)19(17,18)11-14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyKWHOITUASFDEEL-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.10
Rot. Bonds7

About 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide

1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide (PubChem CID 43274531) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
PubChem CID43274531
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C14H24N2O2S/c1-4-12(3)16(5-2)19(17,18)11-14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3
InChIKeyKWHOITUASFDEEL-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide (CID 43274531) is 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide is CCC(C)N(CC)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide?
The InChIKey is KWHOITUASFDEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-12(3)16(5-2)19(17,18)11-14-9-7-6-8-13(14)10-15/h6-9,12H,4-5,10-11,15H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide is sourced from PubChem (CID 43274531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).