5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide

C13H21N3O2S — CID 106074932

IUPAC5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
SMILESCc1ccc(CNC2CC2)cc1S(=O)(=O)NN(C)C
InChIInChI=1S/C13H21N3O2S/c1-10-4-5-11(9-14-12-6-7-12)8-13(10)19(17,18)15-16(2)3/h4-5,8,12,14-15H,6-7,9H2,1-3H3
InChIKeyBBXIKZGTAFOWJQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.00
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide

5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide (PubChem CID 106074932) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
PubChem CID106074932
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
SMILESCc1ccc(CNC2CC2)cc1S(=O)(=O)NN(C)C
InChIInChI=1S/C13H21N3O2S/c1-10-4-5-11(9-14-12-6-7-12)8-13(10)19(17,18)15-16(2)3/h4-5,8,12,14-15H,6-7,9H2,1-3H3
InChIKeyBBXIKZGTAFOWJQ-UHFFFAOYSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.00
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

5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046633
1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114413951
2,5-dichloro-3-[(cyclopropylamino)methyl]-N',N'-dimethylbenzenesulfonohydrazide
CID 106074660
N',N',2,3-tetramethyl-5-(methylaminomethyl)benzenesulfonohydrazide
CID 106074853
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide
CID 106074662
2-bromo-5-[(cyclopropylamino)methyl]-N,3-dimethylbenzenesulfonamide
CID 114364377
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
CID 122191046

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide (CID 106074932) is 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide is Cc1ccc(CNC2CC2)cc1S(=O)(=O)NN(C)C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide?
The InChIKey is BBXIKZGTAFOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-4-5-11(9-14-12-6-7-12)8-13(10)19(17,18)15-16(2)3/h4-5,8,12,14-15H,6-7,9H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide?
5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide has a molecular weight of 283.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide is sourced from PubChem (CID 106074932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).