1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide

C14H22N2O3S — CID 63713652

IUPAC1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H22N2O3S/c15-9-12-1-3-14(4-2-12)11-20(17,18)16-10-13-5-7-19-8-6-13/h1-4,13,16H,5-11,15H2
InChIKeyDOVLZCBLBLMFDW-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.99
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide (PubChem CID 63713652) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
PubChem CID63713652
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESNCc1ccc(CS(=O)(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H22N2O3S/c15-9-12-1-3-14(4-2-12)11-20(17,18)16-10-13-5-7-19-8-6-13/h1-4,13,16H,5-11,15H2
InChIKeyDOVLZCBLBLMFDW-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide (CID 63713652) is 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide is NCc1ccc(CS(=O)(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
The InChIKey is DOVLZCBLBLMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c15-9-12-1-3-14(4-2-12)11-20(17,18)16-10-13-5-7-19-8-6-13/h1-4,13,16H,5-11,15H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63713652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).