N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide

C14H22N4O3S — CID 167934289

IUPACN-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C
InChIInChI=1S/C14H22N4O3S/c1-3-22(20,21)16-11-6-7-13(19)18(10-4-5-10)14(11)12-8-15-9-17(12)2/h8-11,14,16H,3-7H2,1-2H3/t11-,14-/m1/s1
InChIKeyKLFLGEBZRHWVEM-BXUZGUMPSA-N
MW326.42 g/mol
LogP0.55
Rot. Bonds5

About N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide

N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide (PubChem CID 167934289) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide
PubChem CID167934289
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C
InChIInChI=1S/C14H22N4O3S/c1-3-22(20,21)16-11-6-7-13(19)18(10-4-5-10)14(11)12-8-15-9-17(12)2/h8-11,14,16H,3-7H2,1-2H3/t11-,14-/m1/s1
InChIKeyKLFLGEBZRHWVEM-BXUZGUMPSA-N
XLogP0.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide?
The IUPAC name of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide (CID 167934289) is N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide?
The canonical SMILES for N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C.
What is the InChIKey of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide?
The InChIKey is KLFLGEBZRHWVEM-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-22(20,21)16-11-6-7-13(19)18(10-4-5-10)14(11)12-8-15-9-17(12)2/h8-11,14,16H,3-7H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide?
N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-cyclopropyl-2-(3-methylimidazol-4-yl)-6-oxopiperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 167934289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).