4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine

C21H35N3O4S — CID 3557196

IUPAC4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(CCCN3CCOCC3)CC2)c(C)c1C
InChIInChI=1S/C21H35N3O4S/c1-17-16-20(27-4)18(2)19(3)21(17)29(25,26)24-10-8-22(9-11-24)6-5-7-23-12-14-28-15-13-23/h16H,5-15H2,1-4H3
InChIKeyAXBBKDYYMQIDTC-UHFFFAOYSA-N
MW425.60 g/mol
LogP1.65
Rot. Bonds7

About 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine

4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine (PubChem CID 3557196) has the molecular formula C21H35N3O4S and a molecular weight of 425.60 g/mol. Its IUPAC name is 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine
PubChem CID3557196
Molecular FormulaC21H35N3O4S
Molecular Weight425.60 g/mol
Exact Mass425.23
IUPAC Name4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(CCCN3CCOCC3)CC2)c(C)c1C
InChIInChI=1S/C21H35N3O4S/c1-17-16-20(27-4)18(2)19(3)21(17)29(25,26)24-10-8-22(9-11-24)6-5-7-23-12-14-28-15-13-23/h16H,5-15H2,1-4H3
InChIKeyAXBBKDYYMQIDTC-UHFFFAOYSA-N
XLogP1.65
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 3817715
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3851525
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
CID 7731309
2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
CID 58962640
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
CID 21210207
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
N-[2-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]ethyl]-2-[2-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethoxy]acetamide
CID 87115791

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine (CID 3557196) is 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine is COc1cc(C)c(S(=O)(=O)N2CCN(CCCN3CCOCC3)CC2)c(C)c1C.
What is the InChIKey of 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine?
The InChIKey is AXBBKDYYMQIDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4S/c1-17-16-20(27-4)18(2)19(3)21(17)29(25,26)24-10-8-22(9-11-24)6-5-7-23-12-14-28-15-13-23/h16H,5-15H2,1-4H3.
What are the key properties of 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine?
4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine has a molecular weight of 425.60 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine is sourced from PubChem (CID 3557196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).