5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide

C14H24N2O4S2 — CID 25268876

IUPAC5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)N[S@](=O)C(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C14H24N2O4S2/c1-10(16-21(17)14(2,3)4)8-11-6-7-12(20-5)13(9-11)22(15,18)19/h6-7,9-10,16H,8H2,1-5H3,(H2,15,18,19)/t10-,21-/m1/s1
InChIKeyCVYXCIDOADZLGO-LADRHHBVSA-N
MW348.49 g/mol
LogP1.33
Rot. Bonds6

About 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide

5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 25268876) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
PubChem CID25268876
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC Name5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)N[S@](=O)C(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C14H24N2O4S2/c1-10(16-21(17)14(2,3)4)8-11-6-7-12(20-5)13(9-11)22(15,18)19/h6-7,9-10,16H,8H2,1-5H3,(H2,15,18,19)/t10-,21-/m1/s1
InChIKeyCVYXCIDOADZLGO-LADRHHBVSA-N
XLogP1.33
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
CID 118527249
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
5-[2-[4-(5-fluoro-2-methoxyphenoxy)butylamino]propyl]-2-methoxybenzenesulfonamide
CID 15034474
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide (CID 25268876) is 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide is COc1ccc(C[C@@H](C)N[S@](=O)C(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is CVYXCIDOADZLGO-LADRHHBVSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-10(16-21(17)14(2,3)4)8-11-6-7-12(20-5)13(9-11)22(15,18)19/h6-7,9-10,16H,8H2,1-5H3,(H2,15,18,19)/t10-,21-/m1/s1.
What are the key properties of 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide?
5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 25268876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).