4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide

C14H21N3O4S — CID 120919382

IUPAC4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-10-2-3-11(8-12(10)22(16,19)20)17-13(18)14(9-15)4-6-21-7-5-14/h2-3,8H,4-7,9,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyRTAMJANMHUPDMT-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.34
Rot. Bonds4

About 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide

4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide (PubChem CID 120919382) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
PubChem CID120919382
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
SMILESCc1ccc(NC(=O)C2(CN)CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H21N3O4S/c1-10-2-3-11(8-12(10)22(16,19)20)17-13(18)14(9-15)4-6-21-7-5-14/h2-3,8H,4-7,9,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyRTAMJANMHUPDMT-UHFFFAOYSA-N
XLogP0.34
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 120917638
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
CID 120934525
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide
CID 107574152
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
4-(aminomethyl)-N-(4-bromo-3-nitrophenyl)oxane-4-carboxamide
CID 115439717
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide (CID 120919382) is 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide is Cc1ccc(NC(=O)C2(CN)CCOCC2)cc1S(N)(=O)=O.
What is the InChIKey of 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide?
The InChIKey is RTAMJANMHUPDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-2-3-11(8-12(10)22(16,19)20)17-13(18)14(9-15)4-6-21-7-5-14/h2-3,8H,4-7,9,15H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 120919382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).