N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide

C14H24N2O3S2 — CID 106083434

IUPACN-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccc(CNC)cc1OC
InChIInChI=1S/C14H24N2O3S2/c1-5-20-10-11(2)16-21(17,18)14-7-6-12(9-15-3)8-13(14)19-4/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeySUWUBRKAFJNUDZ-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.83
Rot. Bonds9

About N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide

N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 106083434) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
PubChem CID106083434
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccc(CNC)cc1OC
InChIInChI=1S/C14H24N2O3S2/c1-5-20-10-11(2)16-21(17,18)14-7-6-12(9-15-3)8-13(14)19-4/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeySUWUBRKAFJNUDZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
2-methoxy-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079747
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 106054326
4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083183
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide (CID 106083434) is N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide is CCSCC(C)NS(=O)(=O)c1ccc(CNC)cc1OC.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SUWUBRKAFJNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-5-20-10-11(2)16-21(17,18)14-7-6-12(9-15-3)8-13(14)19-4/h6-8,11,15-16H,5,9-10H2,1-4H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106083434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).