1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine

C15H16N2O4S2 — CID 90522461

IUPAC1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C15H16N2O4S2/c18-17(19)14-3-1-2-4-15(14)23(20,21)16-8-5-12(6-9-16)13-7-10-22-11-13/h1-4,7,10-12H,5-6,8-9H2
InChIKeyLXQHPDSQNMSBSB-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine

1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine (PubChem CID 90522461) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine
PubChem CID90522461
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C15H16N2O4S2/c18-17(19)14-3-1-2-4-15(14)23(20,21)16-8-5-12(6-9-16)13-7-10-22-11-13/h1-4,7,10-12H,5-6,8-9H2
InChIKeyLXQHPDSQNMSBSB-UHFFFAOYSA-N
XLogP3.22
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596741
1-naphthalen-1-ylsulfonyl-3-thiophen-3-ylpyrrolidine
CID 131703026
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 6359787
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-nitrophenyl)sulfonylpiperazine
CID 2902607
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408
1-(3-methylphenyl)sulfonyl-4-thiophen-3-ylpiperidine
CID 90522429
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 3668834

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The IUPAC name of 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine (CID 90522461) is 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The canonical SMILES for 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2ccsc2)CC1.
What is the InChIKey of 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
The InChIKey is LXQHPDSQNMSBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c18-17(19)14-3-1-2-4-15(14)23(20,21)16-8-5-12(6-9-16)13-7-10-22-11-13/h1-4,7,10-12H,5-6,8-9H2.
What are the key properties of 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine?
1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine has a molecular weight of 352.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonyl-4-thiophen-3-ylpiperidine is sourced from PubChem (CID 90522461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).