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

C11H16N4O4S — CID 97165430

IUPAC[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4S/c12-8-9-4-1-2-7-14(9)20(18,19)11-10(15(16)17)5-3-6-13-11/h3,5-6,9H,1-2,4,7-8,12H2/t9-/m0/s1
InChIKeyAHSOMVRCVXVHJC-VIFPVBQESA-N
MW300.34 g/mol
LogP0.49
Rot. Bonds4

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

[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine (PubChem CID 97165430) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
PubChem CID97165430
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4S/c12-8-9-4-1-2-7-14(9)20(18,19)11-10(15(16)17)5-3-6-13-11/h3,5-6,9H,1-2,4,7-8,12H2/t9-/m0/s1
InChIKeyAHSOMVRCVXVHJC-VIFPVBQESA-N
XLogP0.49
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 ≤ 50.49
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

[(2R)-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-2-yl]methanamine
CID 97162685
[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711615
[1-(2-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969391
[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 86814097
[1-(3-methoxy-4-nitrophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969231
1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
CID 71635629
2-cyclopropylsulfonyl-3-nitropyridine
CID 153380489
[1-[(5-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638663
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482
[1-(furan-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 120874730
[1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine
CID 71638895
[1-(4-bromo-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988924

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine (CID 97165430) is [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-].
What is the InChIKey of [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
The InChIKey is AHSOMVRCVXVHJC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O4S/c12-8-9-4-1-2-7-14(9)20(18,19)11-10(15(16)17)5-3-6-13-11/h3,5-6,9H,1-2,4,7-8,12H2/t9-/m0/s1.
What are the key properties of [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine?
[(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine has a molecular weight of 300.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 97165430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).