4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine

C17H26ClN3O3S — CID 136582326

IUPAC4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine
SMILESC[C@H]1CN(Cc2c(Cl)cccc2N2CCOCC2)CCN1S(C)(=O)=O
InChIInChI=1S/C17H26ClN3O3S/c1-14-12-19(6-7-21(14)25(2,22)23)13-15-16(18)4-3-5-17(15)20-8-10-24-11-9-20/h3-5,14H,6-13H2,1-2H3/t14-/m0/s1
InChIKeyIMLFVZSJPVTGGA-AWEZNQCLSA-N
MW387.93 g/mol
LogP1.64
Rot. Bonds4

About 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine

4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine (PubChem CID 136582326) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine
PubChem CID136582326
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine
SMILESC[C@H]1CN(Cc2c(Cl)cccc2N2CCOCC2)CCN1S(C)(=O)=O
InChIInChI=1S/C17H26ClN3O3S/c1-14-12-19(6-7-21(14)25(2,22)23)13-15-16(18)4-3-5-17(15)20-8-10-24-11-9-20/h3-5,14H,6-13H2,1-2H3/t14-/m0/s1
InChIKeyIMLFVZSJPVTGGA-AWEZNQCLSA-N
XLogP1.64
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 846437
1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
CID 900483
1-(5-Chloro-2-methylphenyl)-4-(1-piperidinylsulfonyl)piperazine
CID 991660
N-(5-chloro-2-methylphenyl)-N-[2-(4-morpholinyl)-2-oxoethyl]methanesulfonamide
CID 846815
4-(3-Chloro-4-methylphenyl)-1-(piperidylsulfonyl)piperazine
CID 991659
4-((4-(3-Chloro-4-methylphenyl)piperazin-1-yl)sulfonyl)morpholine
CID 991662
Cambridge id 6382746
CID 2278582
4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 6489209
N-(5-chloro-2-methylphenyl)-N-[4-(morpholin-4-yl)-4-oxobutyl]methanesulfonamide
CID 17648469
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 46190707
1-[3-Chloro-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 67533467
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
CID 112811447

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine (CID 136582326) is 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine is C[C@H]1CN(Cc2c(Cl)cccc2N2CCOCC2)CCN1S(C)(=O)=O.
What is the InChIKey of 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine?
The InChIKey is IMLFVZSJPVTGGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-14-12-19(6-7-21(14)25(2,22)23)13-15-16(18)4-3-5-17(15)20-8-10-24-11-9-20/h3-5,14H,6-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine?
4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine has a molecular weight of 387.93 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 136582326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).