2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C24H34FN3O5S — CID 134141016

IUPAC2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1([C@H]2COC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(CCO)CC1
InChIInChI=1S/C24H34FN3O5S/c25-19-3-5-20(6-4-19)34(31,32)28-21(18-1-2-18)16-33-17-22(28)24(7-8-24)15-23(30)27-11-9-26(10-12-27)13-14-29/h3-6,18,21-22,29H,1-2,7-17H2/t21-,22+/m0/s1
InChIKeyZISKXVLQDDFGDG-FCHUYYIVSA-N
MW495.62 g/mol
LogP1.30
Rot. Bonds8

About 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 134141016) has the molecular formula C24H34FN3O5S and a molecular weight of 495.62 g/mol. Its IUPAC name is 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID134141016
Molecular FormulaC24H34FN3O5S
Molecular Weight495.62 g/mol
Exact Mass495.22
IUPAC Name2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1([C@H]2COC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(CCO)CC1
InChIInChI=1S/C24H34FN3O5S/c25-19-3-5-20(6-4-19)34(31,32)28-21(18-1-2-18)16-33-17-22(28)24(7-8-24)15-23(30)27-11-9-26(10-12-27)13-14-29/h3-6,18,21-22,29H,1-2,7-17H2/t21-,22+/m0/s1
InChIKeyZISKXVLQDDFGDG-FCHUYYIVSA-N
XLogP1.30
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 134141016) is 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CC1([C@H]2COC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is ZISKXVLQDDFGDG-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H34FN3O5S/c25-19-3-5-20(6-4-19)34(31,32)28-21(18-1-2-18)16-33-17-22(28)24(7-8-24)15-23(30)27-11-9-26(10-12-27)13-14-29/h3-6,18,21-22,29H,1-2,7-17H2/t21-,22+/m0/s1.
What are the key properties of 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 495.62 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134141016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).