[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine

C12H18N4O4S — CID 60988900

IUPAC[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine
SMILESCC1CCCN(S(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H18N4O4S/c1-9-3-2-6-15(8-9)21(19,20)12-7-10(14-13)4-5-11(12)16(17)18/h4-5,7,9,14H,2-3,6,8,13H2,1H3
InChIKeyZDCGVIFLCJJTCU-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.30
Rot. Bonds4

About [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine

[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine (PubChem CID 60988900) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine
PubChem CID60988900
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine
SMILESCC1CCCN(S(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C12H18N4O4S/c1-9-3-2-6-15(8-9)21(19,20)12-7-10(14-13)4-5-11(12)16(17)18/h4-5,7,9,14H,2-3,6,8,13H2,1H3
InChIKeyZDCGVIFLCJJTCU-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-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142204
1-(3-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperidine
CID 82840446
(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
CID 43325262
3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
CID 3325668
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methyl-4-nitroaniline
CID 79179408
1-[1-(5-chloro-2-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984689
N-methyl-3-(2-methylpyrrolidin-1-yl)sulfonyl-4-nitroaniline
CID 62164194
1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidine
CID 2842403
3-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline
CID 115993280
[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
1-[1-(5-chloro-2-nitrophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 119961448
1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]propan-2-ol
CID 42999262

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine?
The IUPAC name of [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine (CID 60988900) is [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine?
The canonical SMILES for [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine is CC1CCCN(S(=O)(=O)c2cc(NN)ccc2[N+](=O)[O-])C1.
What is the InChIKey of [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine?
The InChIKey is ZDCGVIFLCJJTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-9-3-2-6-15(8-9)21(19,20)12-7-10(14-13)4-5-11(12)16(17)18/h4-5,7,9,14H,2-3,6,8,13H2,1H3.
What are the key properties of [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine?
[3-(3-methylpiperidin-1-yl)sulfonyl-4-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 [3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine is sourced from PubChem (CID 60988900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).