2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide

C15H21N3O5S — CID 71155640

IUPAC2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCOc1ccc(N2CCC(N3CCCS3(=O)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5S/c1-23-13-3-4-14(15(11-13)18(19)20)16-8-5-12(6-9-16)17-7-2-10-24(17,21)22/h3-4,11-12H,2,5-10H2,1H3
InChIKeyWGSRPZZSVZOXAS-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.61
Rot. Bonds4

About 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide

2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 71155640) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID71155640
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
SMILESCOc1ccc(N2CCC(N3CCCS3(=O)=O)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5S/c1-23-13-3-4-14(15(11-13)18(19)20)16-8-5-12(6-9-16)17-7-2-10-24(17,21)22/h3-4,11-12H,2,5-10H2,1H3
InChIKeyWGSRPZZSVZOXAS-UHFFFAOYSA-N
XLogP1.61
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 71145229
1-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63249355
(3S,5R)-1-(4-methoxy-2-nitrophenyl)-3,5-dimethylpiperidine
CID 99966439
1-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-4-carboxylic acid
CID 63124556
4-(3-methoxyphenyl)-1-(4-methylsulfonyl-2-nitrophenyl)piperidine
CID 133279380
1-(4-methoxy-2-nitrophenyl)-3,3-dimethylpiperazine
CID 82993789
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 55501451
(3aR,7aS)-2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98364921
1-(4-fluorophenyl)sulfonyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2981141
[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 3943930
(4-fluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 2960844
(3R)-3-(azepan-1-yl)-1-(4-methoxy-2-nitrophenyl)pyrrolidine-2,5-dione
CID 7310714

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide (CID 71155640) is 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide is COc1ccc(N2CCC(N3CCCS3(=O)=O)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WGSRPZZSVZOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-23-13-3-4-14(15(11-13)18(19)20)16-8-5-12(6-9-16)17-7-2-10-24(17,21)22/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide?
2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 355.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 71155640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).