N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide

C13H22N2O4S — CID 63732823

IUPACN-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)CN)cc1OCC
InChIInChI=1S/C13H22N2O4S/c1-4-18-12-7-6-11(8-13(12)19-5-2)20(16,17)15-10(3)9-14/h6-8,10,15H,4-5,9,14H2,1-3H3
InChIKeyZTPYAZTZWHSCKW-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.11
Rot. Bonds8

About N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide

N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide (PubChem CID 63732823) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
PubChem CID63732823
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)CN)cc1OCC
InChIInChI=1S/C13H22N2O4S/c1-4-18-12-7-6-11(8-13(12)19-5-2)20(16,17)15-10(3)9-14/h6-8,10,15H,4-5,9,14H2,1-3H3
InChIKeyZTPYAZTZWHSCKW-UHFFFAOYSA-N
XLogP1.11
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
3,4-diethoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501581
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide (CID 63732823) is N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)CN)cc1OCC.
What is the InChIKey of N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide?
The InChIKey is ZTPYAZTZWHSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-18-12-7-6-11(8-13(12)19-5-2)20(16,17)15-10(3)9-14/h6-8,10,15H,4-5,9,14H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide?
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 63732823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).