[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine

C12H17N3O3S — CID 106495807

IUPAC[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
SMILESNNc1ccc(CSCC2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3S/c13-14-11-4-3-9(6-12(11)15(16)17)7-19-8-10-2-1-5-18-10/h3-4,6,10,14H,1-2,5,7-8,13H2
InChIKeyXOKYAFWCSADOCQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.29
Rot. Bonds6

About [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine

[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine (PubChem CID 106495807) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
PubChem CID106495807
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
SMILESNNc1ccc(CSCC2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3S/c13-14-11-4-3-9(6-12(11)15(16)17)7-19-8-10-2-1-5-18-10/h3-4,6,10,14H,1-2,5,7-8,13H2
InChIKeyXOKYAFWCSADOCQ-UHFFFAOYSA-N
XLogP2.29
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.29
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'}

Analyze [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-nitro-5-(oxolan-2-ylmethylsulfanylmethyl)aniline
CID 106495759
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
CID 62244881
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62246253
2-[(4-hydrazinyl-3-nitrophenyl)methylsulfanyl]ethanol
CID 62252510
4-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 155137381
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62247819
4-(cyclopentylmethylsulfanylmethyl)-N-ethyl-2-nitroaniline
CID 63486419
2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)aniline
CID 106494229
[4-(2-methylbutylsulfanylmethyl)-2-nitrophenyl]hydrazine
CID 107756756
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
4-methyl-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 54916885

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine (CID 106495807) is [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine is NNc1ccc(CSCC2CCCO2)cc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine?
The InChIKey is XOKYAFWCSADOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-14-11-4-3-9(6-12(11)15(16)17)7-19-8-10-2-1-5-18-10/h3-4,6,10,14H,1-2,5,7-8,13H2.
What are the key properties of [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine?
[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine has a molecular weight of 283.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine is sourced from PubChem (CID 106495807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).