1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine

C13H28N2S — CID 91491328

IUPAC1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine
SMILESCSC(C)(C)CC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H28N2S/c1-12(2,11-13(3,4)16-6)15-9-7-14(5)8-10-15/h7-11H2,1-6H3
InChIKeyWKCPYCJTRMGOHB-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine

1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine (PubChem CID 91491328) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine
PubChem CID91491328
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine
SMILESCSC(C)(C)CC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H28N2S/c1-12(2,11-13(3,4)16-6)15-9-7-14(5)8-10-15/h7-11H2,1-6H3
InChIKeyWKCPYCJTRMGOHB-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[4-(2-methylpropyl)thian-4-yl]piperazine
CID 59639471
1-Tert-butyl-4-(4-tert-butylsulfanyl-2-methylpentyl)piperazine
CID 134582849
ethane;N,1,3-trimethyl-N-(2-methylsulfanylethyl)piperidin-3-amine
CID 145701266
N-[1-(4-iodopiperazin-1-yl)-2,4-dimethyl-4-methylsulfanylpentan-2-yl]methanimine
CID 146274256
1-Iodo-4-(2,2,4-trimethyl-4-methylsulfanylpentyl)piperazine
CID 146276465
4-(2-Methylpentan-2-yl)thiomorpholine
CID 146342945
Trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-lambda4-sulfane
CID 146587660
1-(3-Methyl-3-methylsulfanylbutyl)-4-(2-methylpropyl)piperazine
CID 156452342
1-Tert-butyl-4-(2-methyl-4-propan-2-ylsulfanylpentyl)piperazine
CID 166788230
1-Ethyl-3-methyl-3-methylsulfanylpiperidine
CID 167009403
2-Methyl-2-thiomorpholin-4-ylpentan-1-amine
CID 43210636
3-(aminomethyl)-N,N-dibutylthian-3-amine
CID 55129741

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine (CID 91491328) is 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine is CSC(C)(C)CC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine?
The InChIKey is WKCPYCJTRMGOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-12(2,11-13(3,4)16-6)15-9-7-14(5)8-10-15/h7-11H2,1-6H3.
What are the key properties of 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine?
1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine has a molecular weight of 244.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-4-methylsulfanylpentan-2-yl)-4-methylpiperazine is sourced from PubChem (CID 91491328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).