N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine

C10H17N5O4S — CID 112752075

IUPACN-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C10H17N5O4S/c1-13(2)20(18,19)14(3)7-8-5-4-6-9(15(16)17)10(8)12-11/h4-6,12H,7,11H2,1-3H3
InChIKeyBCBOOAJXPYNOLM-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.12
Rot. Bonds6

About N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine

N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine (PubChem CID 112752075) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
PubChem CID112752075
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC NameN-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C10H17N5O4S/c1-13(2)20(18,19)14(3)7-8-5-4-6-9(15(16)17)10(8)12-11/h4-6,12H,7,11H2,1-3H3
InChIKeyBCBOOAJXPYNOLM-UHFFFAOYSA-N
XLogP0.12
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 107353144
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107353100
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]acetamide
CID 107353155
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044
2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 107352912

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine (CID 112752075) is N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine is CN(C)S(=O)(=O)N(C)Cc1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine?
The InChIKey is BCBOOAJXPYNOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-13(2)20(18,19)14(3)7-8-5-4-6-9(15(16)17)10(8)12-11/h4-6,12H,7,11H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine?
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine has a molecular weight of 303.34 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 112752075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).