5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide

C14H22N2O3S — CID 106091059

IUPAC5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC(C)(C)C1CC1
InChIInChI=1S/C14H22N2O3S/c1-14(2,11-5-6-11)16-20(17,18)13-8-10(9-15)4-7-12(13)19-3/h4,7-8,11,16H,5-6,9,15H2,1-3H3
InChIKeyXULPWEYWPJBDLE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.62
Rot. Bonds6

About 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide

5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 106091059) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID106091059
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC(C)(C)C1CC1
InChIInChI=1S/C14H22N2O3S/c1-14(2,11-5-6-11)16-20(17,18)13-8-10(9-15)4-7-12(13)19-3/h4,7-8,11,16H,5-6,9,15H2,1-3H3
InChIKeyXULPWEYWPJBDLE-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide
CID 106001141
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide (CID 106091059) is 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NC(C)(C)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XULPWEYWPJBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,11-5-6-11)16-20(17,18)13-8-10(9-15)4-7-12(13)19-3/h4,7-8,11,16H,5-6,9,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide?
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106091059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).