methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate

C16H26N2O5S — CID 78899376

IUPACmethyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCCCC2CCNS(C)(=O)=O)oc1C
InChIInChI=1S/C16H26N2O5S/c1-12-15(16(19)22-2)10-14(23-12)11-18-9-5-4-6-13(18)7-8-17-24(3,20)21/h10,13,17H,4-9,11H2,1-3H3
InChIKeyJOMBDWOXKZZGCZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.67
Rot. Bonds7

About methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78899376) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
PubChem CID78899376
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Namemethyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCCCC2CCNS(C)(=O)=O)oc1C
InChIInChI=1S/C16H26N2O5S/c1-12-15(16(19)22-2)10-14(23-12)11-18-9-5-4-6-13(18)7-8-17-24(3,20)21/h10,13,17H,4-9,11H2,1-3H3
InChIKeyJOMBDWOXKZZGCZ-UHFFFAOYSA-N
XLogP1.67
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[3-(methanesulfonamido)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78896687
N-[2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 112840806
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
methyl 2-methyl-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]furan-3-carboxylate
CID 78845691
methyl 2-methyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 78900937
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 78791073
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
methyl 5-[[[ethylamino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate
CID 111261073
ethyl 1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 78789920
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate
CID 120781800

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate (CID 78899376) is methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN2CCCCC2CCNS(C)(=O)=O)oc1C.
What is the InChIKey of methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is JOMBDWOXKZZGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-12-15(16(19)22-2)10-14(23-12)11-18-9-5-4-6-13(18)7-8-17-24(3,20)21/h10,13,17H,4-9,11H2,1-3H3.
What are the key properties of methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[2-(methanesulfonamido)ethyl]piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78899376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).