[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine

C11H16N4O2S — CID 62245555

IUPAC[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
SMILESNNc1ccc(CN2CCSCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2S/c12-13-10-2-1-9(7-11(10)15(16)17)8-14-3-5-18-6-4-14/h1-2,7,13H,3-6,8,12H2
InChIKeyDIXVYZLTDXNHMC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.43
Rot. Bonds4

About [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine

[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine (PubChem CID 62245555) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
PubChem CID62245555
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
SMILESNNc1ccc(CN2CCSCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2S/c12-13-10-2-1-9(7-11(10)15(16)17)8-14-3-5-18-6-4-14/h1-2,7,13H,3-6,8,12H2
InChIKeyDIXVYZLTDXNHMC-UHFFFAOYSA-N
XLogP1.43
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.43
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-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
2-nitro-N-propyl-4-(thiomorpholin-4-ylmethyl)aniline
CID 62177701
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
4-[(4-hydrazinyl-3-nitrophenyl)methyl]morpholin-3-one
CID 79469112
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-nitrophenyl]hydrazine
CID 63025123
1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
CID 62246151

Frequently Asked Questions

What is the IUPAC name of [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine (CID 62245555) is [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine is NNc1ccc(CN2CCSCC2)cc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine?
The InChIKey is DIXVYZLTDXNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-13-10-2-1-9(7-11(10)15(16)17)8-14-3-5-18-6-4-14/h1-2,7,13H,3-6,8,12H2.
What are the key properties of [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine?
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine has a molecular weight of 268.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine is sourced from PubChem (CID 62245555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).