morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone

C16H21N3O6S — CID 5211583

IUPACmorpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C16H21N3O6S/c20-16(17-9-11-25-12-10-17)14-6-3-4-8-18(14)26(23,24)15-7-2-1-5-13(15)19(21)22/h1-2,5,7,14H,3-4,6,8-12H2
InChIKeyKQPQPZUVEBYFTB-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.00
Rot. Bonds4

About morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone

morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone (PubChem CID 5211583) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone
PubChem CID5211583
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Namemorpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C16H21N3O6S/c20-16(17-9-11-25-12-10-17)14-6-3-4-8-18(14)26(23,24)15-7-2-1-5-13(15)19(21)22/h1-2,5,7,14H,3-4,6,8-12H2
InChIKeyKQPQPZUVEBYFTB-UHFFFAOYSA-N
XLogP1.00
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.00
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone (CID 5211583) is morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone is O=C(C1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone?
The InChIKey is KQPQPZUVEBYFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6S/c20-16(17-9-11-25-12-10-17)14-6-3-4-8-18(14)26(23,24)15-7-2-1-5-13(15)19(21)22/h1-2,5,7,14H,3-4,6,8-12H2.
What are the key properties of morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone?
morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone has a molecular weight of 383.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2-nitrophenyl)sulfonylpiperidin-2-yl]methanone is sourced from PubChem (CID 5211583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).