4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide

C13H21N3O3S — CID 106074934

IUPAC4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(OCCNC2CC2)cc1
InChIInChI=1S/C13H21N3O3S/c1-16(2)15-20(17,18)13-7-5-12(6-8-13)19-10-9-14-11-3-4-11/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyXHJGHWVSPFJYKS-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.57
Rot. Bonds8

About 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide

4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 106074934) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID106074934
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(OCCNC2CC2)cc1
InChIInChI=1S/C13H21N3O3S/c1-16(2)15-20(17,18)13-7-5-12(6-8-13)19-10-9-14-11-3-4-11/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyXHJGHWVSPFJYKS-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119987301
4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
N-[2-(3-methylsulfonylphenoxy)ethyl]cycloheptanamine
CID 62583799
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
N'-[2-(4-chlorophenoxy)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409199
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
6-N-[4-[2-(4-chlorophenoxy)ethylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 141224005
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide (CID 106074934) is 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccc(OCCNC2CC2)cc1.
What is the InChIKey of 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is XHJGHWVSPFJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(2)15-20(17,18)13-7-5-12(6-8-13)19-10-9-14-11-3-4-11/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide?
4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 299.40 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)ethoxy]-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 106074934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).