[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine

C12H18N4O4S — CID 43142204

IUPAC[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine
SMILESCC1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)C1
InChIInChI=1S/C12H18N4O4S/c1-9-3-2-6-15(8-9)21(19,20)12-5-4-10(16(17)18)7-11(12)14-13/h4-5,7,9,14H,2-3,6,8,13H2,1H3
InChIKeyZWHUWNZJEQRMCE-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.30
Rot. Bonds4

About [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine

[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine (PubChem CID 43142204) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine
PubChem CID43142204
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine
SMILESCC1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)C1
InChIInChI=1S/C12H18N4O4S/c1-9-3-2-6-15(8-9)21(19,20)12-5-4-10(16(17)18)7-11(12)14-13/h4-5,7,9,14H,2-3,6,8,13H2,1H3
InChIKeyZWHUWNZJEQRMCE-UHFFFAOYSA-N
XLogP1.30
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.30
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

[2-(2-methylmorpholin-4-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142206
[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine
CID 60988900
N-methyl-2-(2-methylpyrrolidin-1-yl)sulfonyl-5-nitroaniline
CID 62163490
3-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 115993280
N-methyl-2-(2-methylmorpholin-4-yl)sulfonyl-5-nitroaniline
CID 62150394
1-(2-chloro-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714937
1-(2-bromo-4-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714497
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
1-(2-ethyl-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 119959916
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714788

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine?
The IUPAC name of [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine (CID 43142204) is [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine is CC1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2NN)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine?
The InChIKey is ZWHUWNZJEQRMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-9-3-2-6-15(8-9)21(19,20)12-5-4-10(16(17)18)7-11(12)14-13/h4-5,7,9,14H,2-3,6,8,13H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine?
[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine has a molecular weight of 314.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine is sourced from PubChem (CID 43142204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).