ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate

C18H28N2O5S — CID 124816113

IUPACethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)C1
InChIInChI=1S/C18H28N2O5S/c1-4-24-18(21)14-6-5-9-20(11-14)26(22,23)19(3)12-15-7-8-17(25-15)16-10-13(16)2/h7-8,13-14,16H,4-6,9-12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyKQSCSFMFAMJHAM-LZWOXQAQSA-N
MW384.50 g/mol
LogP2.35
Rot. Bonds7

About ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate

ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate (PubChem CID 124816113) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate
PubChem CID124816113
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Nameethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)C1
InChIInChI=1S/C18H28N2O5S/c1-4-24-18(21)14-6-5-9-20(11-14)26(22,23)19(3)12-15-7-8-17(25-15)16-10-13(16)2/h7-8,13-14,16H,4-6,9-12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyKQSCSFMFAMJHAM-LZWOXQAQSA-N
XLogP2.35
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
CID 51936643
ethyl (3S)-1-[(2-bromophenyl)methyl-methylsulfamoyl]piperidine-3-carboxylate
CID 51939551
2-[(3-ethoxycarbonylpiperidin-1-yl)sulfonyl-methylamino]acetic acid
CID 43173165
3-N-methyl-3-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-1,3-dicarboxamide
CID 51074422
ethyl 1-[azetidin-3-yl(methyl)sulfamoyl]piperidine-3-carboxylate
CID 66186180
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate (CID 124816113) is ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)C1.
What is the InChIKey of ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate?
The InChIKey is KQSCSFMFAMJHAM-LZWOXQAQSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-4-24-18(21)14-6-5-9-20(11-14)26(22,23)19(3)12-15-7-8-17(25-15)16-10-13(16)2/h7-8,13-14,16H,4-6,9-12H2,1-3H3/t13-,14+,16-/m0/s1.
What are the key properties of ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate has a molecular weight of 384.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 124816113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).