5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide

C15H26N2O3S — CID 106068509

IUPAC5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)c(C)cc1C
InChIInChI=1S/C15H26N2O3S/c1-5-6-14(10-20-4)17-21(18,19)15-8-13(9-16)11(2)7-12(15)3/h7-8,14,17H,5-6,9-10,16H2,1-4H3
InChIKeyWUUZWTNIIGREIE-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.86
Rot. Bonds8

About 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide

5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 106068509) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID106068509
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)c(C)cc1C
InChIInChI=1S/C15H26N2O3S/c1-5-6-14(10-20-4)17-21(18,19)15-8-13(9-16)11(2)7-12(15)3/h7-8,14,17H,5-6,9-10,16H2,1-4H3
InChIKeyWUUZWTNIIGREIE-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
4-(1-methoxypentan-2-ylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106998297
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068484
5-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylbenzenesulfonamide
CID 106051218
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
5-(aminomethyl)-2,4-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283754

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide (CID 106068509) is 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide is CCCC(COC)NS(=O)(=O)c1cc(CN)c(C)cc1C.
What is the InChIKey of 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is WUUZWTNIIGREIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-6-14(10-20-4)17-21(18,19)15-8-13(9-16)11(2)7-12(15)3/h7-8,14,17H,5-6,9-10,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide?
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 106068509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).