1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide

C15H26N2O2S — CID 65038831

IUPAC1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H26N2O2S/c1-4-15(5-2,6-3)17-20(18,19)12-14-10-8-7-9-13(14)11-16/h7-10,17H,4-6,11-12,16H2,1-3H3
InChIKeyDCZAQBSBJUUWER-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.53
Rot. Bonds8

About 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide (PubChem CID 65038831) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
PubChem CID65038831
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H26N2O2S/c1-4-15(5-2,6-3)17-20(18,19)12-14-10-8-7-9-13(14)11-16/h7-10,17H,4-6,11-12,16H2,1-3H3
InChIKeyDCZAQBSBJUUWER-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
CID 113485385
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
[2-(tert-butylsulfonylmethyl)phenyl]methanamine
CID 64697384
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
CID 62641813
1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
CID 43094907
1-[2-(aminomethyl)phenyl]-N-octan-4-ylmethanesulfonamide
CID 106024244
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
CID 43579028
1-[2-(aminomethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62992288
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211650
4-[[2-(aminomethyl)phenyl]methylsulfonylamino]butanamide
CID 60865393

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide (CID 65038831) is 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide is CCC(CC)(CC)NS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide?
The InChIKey is DCZAQBSBJUUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-15(5-2,6-3)17-20(18,19)12-14-10-8-7-9-13(14)11-16/h7-10,17H,4-6,11-12,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.53, 8 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-(3-ethylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 65038831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).