ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide

C18H32N2O7S — CID 142067161

IUPACethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide
SMILESCC.COc1cc(NS(=O)(=O)N2CCCCC2C)cc(OC)c1OC.O=CO
InChIInChI=1S/C15H24N2O5S.C2H6.CH2O2/c1-11-7-5-6-8-17(11)23(18,19)16-12-9-13(20-2)15(22-4)14(10-12)21-3;1-2;2-1-3/h9-11,16H,5-8H2,1-4H3;1-2H3;1H,(H,2,3)
InChIKeyNOLZHYHBMVGNSE-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.97
Rot. Bonds6

About ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide

ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide (PubChem CID 142067161) has the molecular formula C18H32N2O7S and a molecular weight of 420.53 g/mol. Its IUPAC name is ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Nameethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide
PubChem CID142067161
Molecular FormulaC18H32N2O7S
Molecular Weight420.53 g/mol
Exact Mass420.19
IUPAC Nameethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide
SMILESCC.COc1cc(NS(=O)(=O)N2CCCCC2C)cc(OC)c1OC.O=CO
InChIInChI=1S/C15H24N2O5S.C2H6.CH2O2/c1-11-7-5-6-8-17(11)23(18,19)16-12-9-13(20-2)15(22-4)14(10-12)21-3;1-2;2-1-3/h9-11,16H,5-8H2,1-4H3;1-2H3;1H,(H,2,3)
InChIKeyNOLZHYHBMVGNSE-UHFFFAOYSA-N
XLogP2.97
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide?
The IUPAC name of ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide (CID 142067161) is ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide?
The canonical SMILES for ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide is CC.COc1cc(NS(=O)(=O)N2CCCCC2C)cc(OC)c1OC.O=CO.
What is the InChIKey of ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide?
The InChIKey is NOLZHYHBMVGNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S.C2H6.CH2O2/c1-11-7-5-6-8-17(11)23(18,19)16-12-9-13(20-2)15(22-4)14(10-12)21-3;1-2;2-1-3/h9-11,16H,5-8H2,1-4H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide?
ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide has a molecular weight of 420.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;2-methyl-N-(3,4,5-trimethoxyphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 142067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).