1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine

C14H21N5O3S — CID 3358524

IUPAC1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine
SMILESO=NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H21N5O3S/c20-16-18-10-8-17(9-11-18)13-4-5-15-12-14(13)23(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11H2
InChIKeyHZIQITCKUOMBQU-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.06
Rot. Bonds4

About 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine

1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine (PubChem CID 3358524) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine
PubChem CID3358524
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine
SMILESO=NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H21N5O3S/c20-16-18-10-8-17(9-11-18)13-4-5-15-12-14(13)23(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11H2
InChIKeyHZIQITCKUOMBQU-UHFFFAOYSA-N
XLogP1.06
TPSA86.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine?
The IUPAC name of 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine (CID 3358524) is 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine.
What is the SMILES notation for 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine?
The canonical SMILES for 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine is O=NN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine?
The InChIKey is HZIQITCKUOMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c20-16-18-10-8-17(9-11-18)13-4-5-15-12-14(13)23(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11H2.
What are the key properties of 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine?
1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine has a molecular weight of 339.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine is sourced from PubChem (CID 3358524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).