4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide

C10H17N3O2S — CID 83014637

IUPAC4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C10H17N3O2S/c1-13(2)12-16(14,15)10-5-3-9(4-6-10)7-8-11/h3-6,12H,7-8,11H2,1-2H3
InChIKeyDZZZBZRAZPRAHR-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.06
Rot. Bonds5

About 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide

4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83014637) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83014637
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C10H17N3O2S/c1-13(2)12-16(14,15)10-5-3-9(4-6-10)7-8-11/h3-6,12H,7-8,11H2,1-2H3
InChIKeyDZZZBZRAZPRAHR-UHFFFAOYSA-N
XLogP-0.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-[4-(2-aminoethyl)phenyl]-N-methylbenzenesulfonamide
CID 171387358
4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945013
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
4-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83023481
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
4-(2-aminoethyl)benzenesulfonyl fluoride
CID 1701
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide (CID 83014637) is 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is DZZZBZRAZPRAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(2)12-16(14,15)10-5-3-9(4-6-10)7-8-11/h3-6,12H,7-8,11H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide?
4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 243.33 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83014637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).