4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine

C26H36N4O3S — CID 44565029

IUPAC4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine
SMILESC[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(C2(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C26H36N4O3S/c1-22-20-28(13-8-23-6-11-27-12-7-23)14-15-30(22)34(31,32)25-4-2-24(3-5-25)26(9-10-26)21-29-16-18-33-19-17-29/h2-7,11-12,22H,8-10,13-21H2,1H3/t22-/m1/s1
InChIKeyZCTFCIROSWFYBV-JOCHJYFZSA-N
MW484.67 g/mol
LogP2.38
Rot. Bonds8

About 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine

4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine (PubChem CID 44565029) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine
PubChem CID44565029
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC Name4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine
SMILESC[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(C2(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C26H36N4O3S/c1-22-20-28(13-8-23-6-11-27-12-7-23)14-15-30(22)34(31,32)25-4-2-24(3-5-25)26(9-10-26)21-29-16-18-33-19-17-29/h2-7,11-12,22H,8-10,13-21H2,1H3/t22-/m1/s1
InChIKeyZCTFCIROSWFYBV-JOCHJYFZSA-N
XLogP2.38
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine with MolForge

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Related Compounds

(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
(2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(phenyl(pyridin-4-yl)methyl)piperazine
CID 44564877
(R)-1-(4-(2-fluoropropan-2-yl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
CID 44564921
(2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(1-(pyridin-4-yl)ethyl)piperazine
CID 44564922
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
CID 44564923
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(pyridin-4-ylmethyl)piperazine
CID 44564925
(2R)-2-methyl-4-(2-(pyridin-4-yl)ethyl)-1-(4-(1,1,1,2-tetrafluoropropan-2-yl)phenylsulfonyl)piperazine
CID 44564974
(2R)-1-(4-(1-fluoroethyl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
CID 44564976
(R)-1-(4-(1,1-difluoroethyl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
CID 44564977
(R)-(1-(4-(2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)cyclopropyl)methanol
CID 44565028

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine (CID 44565029) is 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine is C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(C2(CN3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine?
The InChIKey is ZCTFCIROSWFYBV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-22-20-28(13-8-23-6-11-27-12-7-23)14-15-30(22)34(31,32)25-4-2-24(3-5-25)26(9-10-26)21-29-16-18-33-19-17-29/h2-7,11-12,22H,8-10,13-21H2,1H3/t22-/m1/s1.
What are the key properties of 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine?
4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine has a molecular weight of 484.67 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylphenyl]cyclopropyl]methyl]morpholine is sourced from PubChem (CID 44565029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).