1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide

C17H26N2O2S — CID 77094868

IUPAC1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(SC3CCCCC3)o2)C1
InChIInChI=1S/C17H26N2O2S/c1-18-17(20)13-9-10-19(11-13)12-14-7-8-16(21-14)22-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,18,20)
InChIKeyXEIXPHGGIQDNLL-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.27
Rot. Bonds5

About 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide

1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 77094868) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID77094868
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(Cc2ccc(SC3CCCCC3)o2)C1
InChIInChI=1S/C17H26N2O2S/c1-18-17(20)13-9-10-19(11-13)12-14-7-8-16(21-14)22-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,18,20)
InChIKeyXEIXPHGGIQDNLL-UHFFFAOYSA-N
XLogP3.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131894249
1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77097347
[(3R,5S)-1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133134512
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478
(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97139743
1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 48542178
1-[5-(aminomethyl)furan-2-carbonyl]-N-methylpiperidine-3-carboxamide
CID 103811056
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide (CID 77094868) is 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(Cc2ccc(SC3CCCCC3)o2)C1.
What is the InChIKey of 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is XEIXPHGGIQDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-18-17(20)13-9-10-19(11-13)12-14-7-8-16(21-14)22-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,18,20).
What are the key properties of 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide?
1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 77094868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).