[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine

C11H16N4O4S — CID 97165487

IUPAC[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H16N4O4S/c12-6-9-2-1-5-14(8-9)20(18,19)11-4-3-10(7-13-11)15(16)17/h3-4,7,9H,1-2,5-6,8,12H2/t9-/m1/s1
InChIKeyZDPQODMYOVPPMF-SECBINFHSA-N
MW300.34 g/mol
LogP0.35
Rot. Bonds4

About [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine

[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine (PubChem CID 97165487) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
PubChem CID97165487
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
SMILESNC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C11H16N4O4S/c12-6-9-2-1-5-14(8-9)20(18,19)11-4-3-10(7-13-11)15(16)17/h3-4,7,9H,1-2,5-6,8,12H2/t9-/m1/s1
InChIKeyZDPQODMYOVPPMF-SECBINFHSA-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

[1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-4-yl]methanamine
CID 71644894
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
[1-(2-ethyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972276
[1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 80742538
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
N-(1-methylsulfonylpiperidin-3-yl)-5-nitropyridin-2-amine
CID 47077189
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
[1-(2-methylsulfonyl-5-nitrophenyl)piperidin-3-yl]methanamine
CID 166174871
[(3R)-1-(2-methylsulfonyl-5-nitrophenyl)piperidin-3-yl]methanamine
CID 166174869
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine (CID 97165487) is [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine is NC[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The InChIKey is ZDPQODMYOVPPMF-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O4S/c12-6-9-2-1-5-14(8-9)20(18,19)11-4-3-10(7-13-11)15(16)17/h3-4,7,9H,1-2,5-6,8,12H2/t9-/m1/s1.
What are the key properties of [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
[(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-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 [(3R)-1-[(5-nitro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 97165487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).