1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine

C16H26N2O3S — CID 2223170

IUPAC1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C16H26N2O3S/c1-5-10-21-15-11-14(3)16(12-13(15)2)22(19,20)18-8-6-17(4)7-9-18/h11-12H,5-10H2,1-4H3
InChIKeyVXNMNLMJXRQZEU-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.03
Rot. Bonds5

About 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine

1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine (PubChem CID 2223170) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine
PubChem CID2223170
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C16H26N2O3S/c1-5-10-21-15-11-14(3)16(12-13(15)2)22(19,20)18-8-6-17(4)7-9-18/h11-12H,5-10H2,1-4H3
InChIKeyVXNMNLMJXRQZEU-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
Ethyl 4-[(4-ethoxy-1-naphthyl)sulfonyl]piperazine-1-carboxylate
CID 1260937
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 846975
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine (CID 2223170) is 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine is CCCOc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is VXNMNLMJXRQZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-10-21-15-11-14(3)16(12-13(15)2)22(19,20)18-8-6-17(4)7-9-18/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine?
1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 326.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 2223170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).