1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine

C16H24N2O3S — CID 110708600

IUPAC1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)CC2)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-10-15(21-3)11-13(2)16(12)22(19,20)18-8-6-17(7-9-18)14-4-5-14/h10-11,14H,4-9H2,1-3H3
InChIKeyZESNGSHIDGKNQU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.78
Rot. Bonds4

About 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine

1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine (PubChem CID 110708600) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
PubChem CID110708600
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)CC2)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-12-10-15(21-3)11-13(2)16(12)22(19,20)18-8-6-17(7-9-18)14-4-5-14/h10-11,14H,4-9H2,1-3H3
InChIKeyZESNGSHIDGKNQU-UHFFFAOYSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708727
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
1-[3-[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 59367777
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]-1-azabicyclo[3.2.2]nonane
CID 146292817
3-(dimethylamino)-1-[4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603406
(3aS,6aS)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597671
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine (CID 110708600) is 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(C3CC3)CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
The InChIKey is ZESNGSHIDGKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-10-15(21-3)11-13(2)16(12)22(19,20)18-8-6-17(7-9-18)14-4-5-14/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine?
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine has a molecular weight of 324.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).