5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine

C16H34N2O2S — CID 64840877

IUPAC5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
SMILESCC(C)CC1CNC(C(C)(C)C)CN1CCCS(C)(=O)=O
InChIInChI=1S/C16H34N2O2S/c1-13(2)10-14-11-17-15(16(3,4)5)12-18(14)8-7-9-21(6,19)20/h13-15,17H,7-12H2,1-6H3
InChIKeyRSUKRKCUKLSIGM-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.16
Rot. Bonds6

About 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine

5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine (PubChem CID 64840877) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
PubChem CID64840877
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Name5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
SMILESCC(C)CC1CNC(C(C)(C)C)CN1CCCS(C)(=O)=O
InChIInChI=1S/C16H34N2O2S/c1-13(2)10-14-11-17-15(16(3,4)5)12-18(14)8-7-9-21(6,19)20/h13-15,17H,7-12H2,1-6H3
InChIKeyRSUKRKCUKLSIGM-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The IUPAC name of 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine (CID 64840877) is 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine is CC(C)CC1CNC(C(C)(C)C)CN1CCCS(C)(=O)=O.
What is the InChIKey of 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
The InChIKey is RSUKRKCUKLSIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-13(2)10-14-11-17-15(16(3,4)5)12-18(14)8-7-9-21(6,19)20/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine?
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine has a molecular weight of 318.53 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine is sourced from PubChem (CID 64840877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).