[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine

C11H16N4O4S — CID 71644894

IUPAC[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H16N4O4S/c12-7-9-3-5-14(6-4-9)20(18,19)11-2-1-10(8-13-11)15(16)17/h1-2,8-9H,3-7,12H2
InChIKeyZNGRXDFYFLHYGX-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.35
Rot. Bonds4

About [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine

[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine (PubChem CID 71644894) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine
PubChem CID71644894
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H16N4O4S/c12-7-9-3-5-14(6-4-9)20(18,19)11-2-1-10(8-13-11)15(16)17/h1-2,8-9H,3-7,12H2
InChIKeyZNGRXDFYFLHYGX-UHFFFAOYSA-N
XLogP0.35
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 97165487
[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-4-yl]methanamine;hydrochloride
CID 120999463
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605350
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963986
[1-(2-ethyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972276
[1-(2-methylsulfonyl-5-nitrophenyl)piperidin-4-yl]methanamine;dihydrochloride
CID 166174872
2-(benzenesulfonyl)-5-nitropyridine
CID 1477595
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
[1-(2-amino-5-nitrophenyl)sulfonylpiperidin-4-yl]methanol
CID 62163311

Frequently Asked Questions

What is the IUPAC name of [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine (CID 71644894) is [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine?
The InChIKey is ZNGRXDFYFLHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c12-7-9-3-5-14(6-4-9)20(18,19)11-2-1-10(8-13-11)15(16)17/h1-2,8-9H,3-7,12H2.
What are the key properties of [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine?
[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine has a molecular weight of 300.34 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 71644894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).