1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine

C17H36N2O2S — CID 129267763

IUPAC1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCCC(C)(C(C)CC)C(C)S(=O)(=O)N1CCN(CC)CC1
InChIInChI=1S/C17H36N2O2S/c1-7-10-17(6,15(4)8-2)16(5)22(20,21)19-13-11-18(9-3)12-14-19/h15-16H,7-14H2,1-6H3
InChIKeyYRLHZUJGIZUHMM-UHFFFAOYSA-N
MW332.55 g/mol
LogP3.19
Rot. Bonds8

About 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine

1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine (PubChem CID 129267763) has the molecular formula C17H36N2O2S and a molecular weight of 332.55 g/mol. Its IUPAC name is 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine
PubChem CID129267763
Molecular FormulaC17H36N2O2S
Molecular Weight332.55 g/mol
Exact Mass332.25
IUPAC Name1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine
SMILESCCCC(C)(C(C)CC)C(C)S(=O)(=O)N1CCN(CC)CC1
InChIInChI=1S/C17H36N2O2S/c1-7-10-17(6,15(4)8-2)16(5)22(20,21)19-13-11-18(9-3)12-14-19/h15-16H,7-14H2,1-6H3
InChIKeyYRLHZUJGIZUHMM-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.55
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine (CID 129267763) is 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine is CCCC(C)(C(C)CC)C(C)S(=O)(=O)N1CCN(CC)CC1.
What is the InChIKey of 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is YRLHZUJGIZUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2S/c1-7-10-17(6,15(4)8-2)16(5)22(20,21)19-13-11-18(9-3)12-14-19/h15-16H,7-14H2,1-6H3.
What are the key properties of 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine?
1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 332.55 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-3-propylhexan-2-yl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 129267763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).