(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C16H24N2O4S — CID 124815201

IUPAC(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)o1
InChIInChI=1S/C16H24N2O4S/c1-11-9-13(11)15-7-6-12(22-15)10-17(2)16(19)14-5-4-8-18(14)23(3,20)21/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKeyHEZSDULYARLESO-KWCYVHTRSA-N
MW340.45 g/mol
LogP1.79
Rot. Bonds5

About (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 124815201) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID124815201
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)o1
InChIInChI=1S/C16H24N2O4S/c1-11-9-13(11)15-7-6-12(22-15)10-17(2)16(19)14-5-4-8-18(14)23(3,20)21/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t11-,13+,14-/m1/s1
InChIKeyHEZSDULYARLESO-KWCYVHTRSA-N
XLogP1.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

3-N-methyl-3-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-1,3-dicarboxamide
CID 51074422
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 60717848
N,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 106739295
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
(3R)-N,3-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperidine-1-sulfonamide
CID 51936643
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 17472604
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001595
ethyl (3R)-1-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]sulfamoyl]piperidine-3-carboxylate
CID 124816113
5-hydroxy-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentanamide
CID 79191839

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 124815201) is (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@H]2CCCN2S(C)(=O)=O)o1.
What is the InChIKey of (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is HEZSDULYARLESO-KWCYVHTRSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11-9-13(11)15-7-6-12(22-15)10-17(2)16(19)14-5-4-8-18(14)23(3,20)21/h6-7,11,13-14H,4-5,8-10H2,1-3H3/t11-,13+,14-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124815201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).