5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine

C14H30N2OS — CID 113490892

IUPAC5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1CCC(C)S(C)=O
InChIInChI=1S/C14H30N2OS/c1-11(2)13-9-15-14(4,5)10-16(13)8-7-12(3)18(6)17/h11-13,15H,7-10H2,1-6H3
InChIKeyCLVCVWCHJHOPRM-UHFFFAOYSA-N
MW274.47 g/mol
LogP1.85
Rot. Bonds5

About 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine

5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine (PubChem CID 113490892) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine
PubChem CID113490892
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1CCC(C)S(C)=O
InChIInChI=1S/C14H30N2OS/c1-11(2)13-9-15-14(4,5)10-16(13)8-7-12(3)18(6)17/h11-13,15H,7-10H2,1-6H3
InChIKeyCLVCVWCHJHOPRM-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64941038
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64941846
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 82924761
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 103414152
1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64839499
3-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947362
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039834
4-[2-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043394
1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
CID 82241179

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine (CID 113490892) is 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1CCC(C)S(C)=O.
What is the InChIKey of 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine?
The InChIKey is CLVCVWCHJHOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-11(2)13-9-15-14(4,5)10-16(13)8-7-12(3)18(6)17/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine?
5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine has a molecular weight of 274.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(3-methylsulfinylbutyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 113490892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).