4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide

C14H24N2O3S — CID 106055431

IUPAC4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccc(CN)cc1OC
InChIInChI=1S/C14H24N2O3S/c1-4-6-12(5-2)16-20(17,18)14-8-7-11(10-15)9-13(14)19-3/h7-9,12,16H,4-6,10,15H2,1-3H3
InChIKeySBKSKCSLMDLPDQ-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.01
Rot. Bonds8

About 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide

4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide (PubChem CID 106055431) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
PubChem CID106055431
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1ccc(CN)cc1OC
InChIInChI=1S/C14H24N2O3S/c1-4-6-12(5-2)16-20(17,18)14-8-7-11(10-15)9-13(14)19-3/h7-9,12,16H,4-6,10,15H2,1-3H3
InChIKeySBKSKCSLMDLPDQ-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
CID 106054924
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide (CID 106055431) is 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide is CCCC(CC)NS(=O)(=O)c1ccc(CN)cc1OC.
What is the InChIKey of 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide?
The InChIKey is SBKSKCSLMDLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-6-12(5-2)16-20(17,18)14-8-7-11(10-15)9-13(14)19-3/h7-9,12,16H,4-6,10,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide?
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106055431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).