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

C14H22N2O5S — CID 94032684

IUPACmethyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1C
InChIInChI=1S/C14H22N2O5S/c1-10-7-12(21-13(10)14(17)20-2)9-16-6-4-5-11(8-16)15-22(3,18)19/h7,11,15H,4-6,8-9H2,1-3H3/t11-/m0/s1
InChIKeyLWFORMDAAJGYNF-NSHDSACASA-N
MW330.41 g/mol
LogP0.89
Rot. Bonds5

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

methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate (PubChem CID 94032684) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
PubChem CID94032684
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Namemethyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1C
InChIInChI=1S/C14H22N2O5S/c1-10-7-12(21-13(10)14(17)20-2)9-16-6-4-5-11(8-16)15-22(3,18)19/h7,11,15H,4-6,8-9H2,1-3H3/t11-/m0/s1
InChIKeyLWFORMDAAJGYNF-NSHDSACASA-N
XLogP0.89
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[3-(methanesulfonamido)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78896687
methyl 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62355956
methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62063570
methyl 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methylfuran-2-carboxylate
CID 115314384
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
methyl 3-methyl-5-(piperazin-1-ylmethyl)furan-2-carboxylate
CID 43162328
5-[(3-ethylpiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621112
methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 71942284
5-[(3-cyclobutyloxypiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 138004391
N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 97332274
N-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
CID 75438604
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 78791073

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate (CID 94032684) is methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1C.
What is the InChIKey of methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The InChIKey is LWFORMDAAJGYNF-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-10-7-12(21-13(10)14(17)20-2)9-16-6-4-5-11(8-16)15-22(3,18)19/h7,11,15H,4-6,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 94032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).