1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine

C14H30N2O2S — CID 58756709

IUPAC1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine
SMILESCC(C)(C)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-13(2,3)11-15-7-9-16(10-8-15)19(17,18)12-14(4,5)6/h7-12H2,1-6H3
InChIKeyMZLPQCAOVKEZHK-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.03
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine

1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine (PubChem CID 58756709) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine
PubChem CID58756709
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine
SMILESCC(C)(C)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-13(2,3)11-15-7-9-16(10-8-15)19(17,18)12-14(4,5)6/h7-12H2,1-6H3
InChIKeyMZLPQCAOVKEZHK-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine (CID 58756709) is 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine is CC(C)(C)CN1CCN(S(=O)(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine?
The InChIKey is MZLPQCAOVKEZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2,3)11-15-7-9-16(10-8-15)19(17,18)12-14(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine?
1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine has a molecular weight of 290.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(2,2-dimethylpropylsulfonyl)piperazine is sourced from PubChem (CID 58756709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).