1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine

C15H24N2O3S — CID 650490

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)13-5-6-14(20-4)15(11-13)21(18,19)17-9-7-16(3)8-10-17/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJNLDSGBVDZHOJA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.75
Rot. Bonds4

About 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine

1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 650490) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
PubChem CID650490
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)13-5-6-14(20-4)15(11-13)21(18,19)17-9-7-16(3)8-10-17/h5-6,11-12H,7-10H2,1-4H3
InChIKeyJNLDSGBVDZHOJA-UHFFFAOYSA-N
XLogP1.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
1-[1-[3-(4-Methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627971
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
1-(5-Tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 934666
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
2-Methoxy-5,N-dimethyl-N-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-benzenesulfonamide
CID 1095811
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine (CID 650490) is 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine is COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is JNLDSGBVDZHOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)13-5-6-14(20-4)15(11-13)21(18,19)17-9-7-16(3)8-10-17/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 312.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 650490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).