N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide

C15H24N2O3S — CID 97332274

IUPACN-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H24N2O3S/c1-11-8-14(11)15-6-5-13(20-15)10-17-7-3-4-12(9-17)16-21(2,18)19/h5-6,11-12,14,16H,3-4,7-10H2,1-2H3/t11-,12+,14+/m1/s1
InChIKeyCFNSYEUBRGRJMK-DYEKYZERSA-N
MW312.44 g/mol
LogP1.92
Rot. Bonds5

About N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide

N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide (PubChem CID 97332274) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
PubChem CID97332274
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H24N2O3S/c1-11-8-14(11)15-6-5-13(20-15)10-17-7-3-4-12(9-17)16-21(2,18)19/h5-6,11-12,14,16H,3-4,7-10H2,1-2H3/t11-,12+,14+/m1/s1
InChIKeyCFNSYEUBRGRJMK-DYEKYZERSA-N
XLogP1.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide (CID 97332274) is N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide is C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)o1.
What is the InChIKey of N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is CFNSYEUBRGRJMK-DYEKYZERSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-8-14(11)15-6-5-13(20-15)10-17-7-3-4-12(9-17)16-21(2,18)19/h5-6,11-12,14,16H,3-4,7-10H2,1-2H3/t11-,12+,14+/m1/s1.
What are the key properties of N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97332274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).