1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C19H32N2O3S — CID 110602203

IUPAC1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1C
InChIInChI=1S/C19H32N2O3S/c1-14-10-15(2)19(16(3)11-14)25(22,23)20-12-17(4)21(18(5)13-20)8-7-9-24-6/h10-11,17-18H,7-9,12-13H2,1-6H3
InChIKeyXCVDEMQVMDXONQ-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.73
Rot. Bonds6

About 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 110602203) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID110602203
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1C
InChIInChI=1S/C19H32N2O3S/c1-14-10-15(2)19(16(3)11-14)25(22,23)20-12-17(4)21(18(5)13-20)8-7-9-24-6/h10-11,17-18H,7-9,12-13H2,1-6H3
InChIKeyXCVDEMQVMDXONQ-UHFFFAOYSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 110602203) is 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is COCCCN1C(C)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1C.
What is the InChIKey of 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is XCVDEMQVMDXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-14-10-15(2)19(16(3)11-14)25(22,23)20-12-17(4)21(18(5)13-20)8-7-9-24-6/h10-11,17-18H,7-9,12-13H2,1-6H3.
What are the key properties of 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 368.54 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110602203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).