2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine

C12H26N2O2S — CID 58405018

IUPAC2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine
SMILESCC(C)CCN1CCN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C12H26N2O2S/c1-11(2)6-7-13-8-9-14(17(5,15)16)12(3,4)10-13/h11H,6-10H2,1-5H3
InChIKeyYCHOWUVRYGUCOI-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.39
Rot. Bonds4

About 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine

2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine (PubChem CID 58405018) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine
PubChem CID58405018
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine
SMILESCC(C)CCN1CCN(S(C)(=O)=O)C(C)(C)C1
InChIInChI=1S/C12H26N2O2S/c1-11(2)6-7-13-8-9-14(17(5,15)16)12(3,4)10-13/h11H,6-10H2,1-5H3
InChIKeyYCHOWUVRYGUCOI-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine?
The IUPAC name of 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine (CID 58405018) is 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine?
The canonical SMILES for 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine is CC(C)CCN1CCN(S(C)(=O)=O)C(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine?
The InChIKey is YCHOWUVRYGUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)6-7-13-8-9-14(17(5,15)16)12(3,4)10-13/h11H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine?
2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methylbutyl)-1-methylsulfonylpiperazine is sourced from PubChem (CID 58405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).