5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide

C13H20N2O3S2 — CID 106084299

IUPAC5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C13H20N2O3S2/c1-18-12-3-2-10(9-14)8-13(12)20(16,17)15-11-4-6-19-7-5-11/h2-3,8,11,15H,4-7,9,14H2,1H3
InChIKeyOAWOEYNWSUBYGZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.33
Rot. Bonds5

About 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide (PubChem CID 106084299) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
PubChem CID106084299
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C13H20N2O3S2/c1-18-12-3-2-10(9-14)8-13(12)20(16,17)15-11-4-6-19-7-5-11/h2-3,8,11,15H,4-7,9,14H2,1H3
InChIKeyOAWOEYNWSUBYGZ-UHFFFAOYSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
3-methoxy-4-(thian-4-ylsulfamoyl)benzoic acid
CID 102695480
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-[[2-methoxy-5-(methoxymethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071108
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
CID 106084527

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide (CID 106084299) is 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide?
The InChIKey is OAWOEYNWSUBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-18-12-3-2-10(9-14)8-13(12)20(16,17)15-11-4-6-19-7-5-11/h2-3,8,11,15H,4-7,9,14H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide is sourced from PubChem (CID 106084299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).