2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone

C24H33ClN2O4S — CID 70331736

IUPAC2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone
SMILESCC1CC(C2CC2)N(S(=O)(=O)c2ccc(Cl)cc2)C(C2(CC(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C24H33ClN2O4S/c1-17-14-21(18-2-3-18)27(32(29,30)20-6-4-19(25)5-7-20)22(15-17)24(8-9-24)16-23(28)26-10-12-31-13-11-26/h4-7,17-18,21-22H,2-3,8-16H2,1H3
InChIKeyWMFZJAPIHTVDGA-UHFFFAOYSA-N
MW481.06 g/mol
LogP3.94
Rot. Bonds6

About 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone

2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone (PubChem CID 70331736) has the molecular formula C24H33ClN2O4S and a molecular weight of 481.06 g/mol. Its IUPAC name is 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone
PubChem CID70331736
Molecular FormulaC24H33ClN2O4S
Molecular Weight481.06 g/mol
Exact Mass480.18
IUPAC Name2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone
SMILESCC1CC(C2CC2)N(S(=O)(=O)c2ccc(Cl)cc2)C(C2(CC(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C24H33ClN2O4S/c1-17-14-21(18-2-3-18)27(32(29,30)20-6-4-19(25)5-7-20)22(15-17)24(8-9-24)16-23(28)26-10-12-31-13-11-26/h4-7,17-18,21-22H,2-3,8-16H2,1H3
InChIKeyWMFZJAPIHTVDGA-UHFFFAOYSA-N
XLogP3.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.06
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[1-[(4S,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-hydroxypiperidin-2-yl]cyclopropyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 58584490
2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 11663646
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl]ethanone
CID 11540894
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-(4-hydroxy-4-propylpiperidin-1-yl)ethanone
CID 11649179
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-acetylpiperazine-1-carboxylate
CID 11526349
[1-[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 67346038
1-(3-azabicyclo[3.2.1]octan-3-yl)-2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl]-2-hydroxyethanone
CID 58602865
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] oxane-4-carboxylate
CID 55375062
2-[1-[(2R,6R)-1-(4-chlorophenyl)sulfonothioyl-6-ethylpiperidin-2-yl]cyclopropyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 70331533
1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55485951
2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-methylmorpholin-3-yl]cyclopropyl]-N-methyl-N-[(5-methylpyrrolidin-2-yl)methyl]acetamide
CID 143164533
[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl] 4-(cyclopropylmethyl)piperazine-1-carboxylate
CID 58850291

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone (CID 70331736) is 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone is CC1CC(C2CC2)N(S(=O)(=O)c2ccc(Cl)cc2)C(C2(CC(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone?
The InChIKey is WMFZJAPIHTVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O4S/c1-17-14-21(18-2-3-18)27(32(29,30)20-6-4-19(25)5-7-20)22(15-17)24(8-9-24)16-23(28)26-10-12-31-13-11-26/h4-7,17-18,21-22H,2-3,8-16H2,1H3.
What are the key properties of 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone?
2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone has a molecular weight of 481.06 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropyl-4-methylpiperidin-2-yl]cyclopropyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 70331736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).