1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide

C14H22N2O4S — CID 104759966

IUPAC1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide
SMILESCOC1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCOC1
InChIInChI=1S/C14H22N2O4S/c1-19-14(6-7-20-11-14)10-16-21(17,18)9-13-4-2-12(8-15)3-5-13/h2-5,16H,6-11,15H2,1H3
InChIKeyLGEIYRLMOPZSBL-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.37
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide (PubChem CID 104759966) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide
PubChem CID104759966
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide
SMILESCOC1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCOC1
InChIInChI=1S/C14H22N2O4S/c1-19-14(6-7-20-11-14)10-16-21(17,18)9-13-4-2-12(8-15)3-5-13/h2-5,16H,6-11,15H2,1H3
InChIKeyLGEIYRLMOPZSBL-UHFFFAOYSA-N
XLogP0.37
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106080477
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104762812
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104758612
1-amino-N-[(3-methoxyoxolan-3-yl)methyl]propane-2-sulfonamide
CID 104759974
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104758582
5-(aminomethyl)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104758395
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566
3-[(3-methoxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 104759225
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
1-(4-cyclopropylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104759669

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide (CID 104759966) is 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide is COC1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCOC1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide?
The InChIKey is LGEIYRLMOPZSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-14(6-7-20-11-14)10-16-21(17,18)9-13-4-2-12(8-15)3-5-13/h2-5,16H,6-11,15H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 104759966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).