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

C16H26N2O3S — CID 646491

IUPAC1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12(2)14-11-16(15(21-5)10-13(14)3)22(19,20)18-8-6-17(4)7-9-18/h10-12H,6-9H2,1-5H3
InChIKeyNAUILPVDRCGUNI-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.06
Rot. Bonds4

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

1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 646491) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
PubChem CID646491
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C16H26N2O3S/c1-12(2)14-11-16(15(21-5)10-13(14)3)22(19,20)18-8-6-17(4)7-9-18/h10-12H,6-9H2,1-5H3
InChIKeyNAUILPVDRCGUNI-UHFFFAOYSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.06
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-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
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
5-Isopropyl-2-methoxy-4-methyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1091003
2-Methoxy-5,N-dimethyl-N-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-benzenesulfonamide
CID 1095811
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 8777959
1-(6-Methoxy-naphthalene-2-sulfonyl)-3-methyl-piperidine
CID 2897720
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991848

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine (CID 646491) is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine is COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is NAUILPVDRCGUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)14-11-16(15(21-5)10-13(14)3)22(19,20)18-8-6-17(4)7-9-18/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine?
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 326.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 646491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).