5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide

C14H24N2O4S — CID 106068431

IUPAC5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C14H24N2O4S/c1-4-5-12(10-19-2)16-21(17,18)14-8-11(9-15)6-7-13(14)20-3/h6-8,12,16H,4-5,9-10,15H2,1-3H3
InChIKeyKTGDKOSMQOWEID-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.25
Rot. Bonds9

About 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide (PubChem CID 106068431) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
PubChem CID106068431
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)ccc1OC
InChIInChI=1S/C14H24N2O4S/c1-4-5-12(10-19-2)16-21(17,18)14-8-11(9-15)6-7-13(14)20-3/h6-8,12,16H,4-5,9-10,15H2,1-3H3
InChIKeyKTGDKOSMQOWEID-UHFFFAOYSA-N
XLogP1.25
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068484
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
5-(aminomethyl)-2-methoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 106056485
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide (CID 106068431) is 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide is CCCC(COC)NS(=O)(=O)c1cc(CN)ccc1OC.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The InChIKey is KTGDKOSMQOWEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-5-12(10-19-2)16-21(17,18)14-8-11(9-15)6-7-13(14)20-3/h6-8,12,16H,4-5,9-10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.25, 9 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-(1-methoxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106068431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).