3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine

C12H24N2OS — CID 138508367

IUPAC3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine
SMILESCC1CN(C/C=C/S(=O)C(C)C)CC(C)N1
InChIInChI=1S/C12H24N2OS/c1-10(2)16(15)7-5-6-14-8-11(3)13-12(4)9-14/h5,7,10-13H,6,8-9H2,1-4H3/b7-5+
InChIKeyHIBIHNFZUHPLSH-FNORWQNLSA-N
MW244.40 g/mol
LogP1.34
Rot. Bonds4

About 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine

3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine (PubChem CID 138508367) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine
PubChem CID138508367
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine
SMILESCC1CN(C/C=C/S(=O)C(C)C)CC(C)N1
InChIInChI=1S/C12H24N2OS/c1-10(2)16(15)7-5-6-14-8-11(3)13-12(4)9-14/h5,7,10-13H,6,8-9H2,1-4H3/b7-5+
InChIKeyHIBIHNFZUHPLSH-FNORWQNLSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine (CID 138508367) is 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine is CC1CN(C/C=C/S(=O)C(C)C)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine?
The InChIKey is HIBIHNFZUHPLSH-FNORWQNLSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)16(15)7-5-6-14-8-11(3)13-12(4)9-14/h5,7,10-13H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine?
3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine has a molecular weight of 244.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(E)-3-propan-2-ylsulfinylprop-2-enyl]piperazine is sourced from PubChem (CID 138508367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).