N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide

C13H22N2O3S — CID 119982633

IUPACN-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C(C)CN)cc1C
InChIInChI=1S/C13H22N2O3S/c1-9-7-13(10(2)6-12(9)18-5)19(16,17)15(4)11(3)8-14/h6-7,11H,8,14H2,1-5H3
InChIKeyGXPFGOVYNDJCKE-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.28
Rot. Bonds5

About N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide

N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide (PubChem CID 119982633) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
PubChem CID119982633
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C(C)CN)cc1C
InChIInChI=1S/C13H22N2O3S/c1-9-7-13(10(2)6-12(9)18-5)19(16,17)15(4)11(3)8-14/h6-7,11H,8,14H2,1-5H3
InChIKeyGXPFGOVYNDJCKE-UHFFFAOYSA-N
XLogP1.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 28707568
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 119982428
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
2-[(4-methoxy-2,5-dimethylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 47064798
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 47304826
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
5-amino-2-methoxy-N,4-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 79961889
N-(1-aminopropan-2-yl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 119982430
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
N-(1-aminopropan-2-yl)-N,4,5-trimethylthiophene-2-sulfonamide
CID 86784631
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
CID 119982572

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide (CID 119982633) is N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)C(C)CN)cc1C.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is GXPFGOVYNDJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-7-13(10(2)6-12(9)18-5)19(16,17)15(4)11(3)8-14/h6-7,11H,8,14H2,1-5H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 119982633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).