1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide

C14H22N2O3S — CID 61451821

IUPAC1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-19-9-8-16(14-6-7-14)20(17,18)11-13-4-2-12(10-15)3-5-13/h2-5,14H,6-11,15H2,1H3
InChIKeyIIGCIUFSULPYBU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.09
Rot. Bonds8

About 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 61451821) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
PubChem CID61451821
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-19-9-8-16(14-6-7-14)20(17,18)11-13-4-2-12(10-15)3-5-13/h2-5,14H,6-11,15H2,1H3
InChIKeyIIGCIUFSULPYBU-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide (CID 61451821) is 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide is COCCN(C1CC1)S(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is IIGCIUFSULPYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-9-8-16(14-6-7-14)20(17,18)11-13-4-2-12(10-15)3-5-13/h2-5,14H,6-11,15H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 61451821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).