1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine

C10H22N2S — CID 130474542

IUPAC1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
SMILESCC(C)SCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2S/c1-10(2)13-9-8-12-6-4-11(3)5-7-12/h10H,4-9H2,1-3H3
InChIKeyYSWUQGUPECXMBX-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.38
Rot. Bonds4

About 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine

1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine (PubChem CID 130474542) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
PubChem CID130474542
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
SMILESCC(C)SCCN1CCN(C)CC1
InChIInChI=1S/C10H22N2S/c1-10(2)13-9-8-12-6-4-11(3)5-7-12/h10H,4-9H2,1-3H3
InChIKeyYSWUQGUPECXMBX-UHFFFAOYSA-N
XLogP1.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine
CID 82891870
3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-ol
CID 107771254
1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine
CID 82891941
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-amine
CID 82892012
1-(3-propan-2-ylsulfanylpropyl)piperidine
CID 126550120
1,4-bis(2-propan-2-yloxysulfanylethyl)piperazine
CID 146552791
1,8-dimethyl-4,11-bis(2-methylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 102469908
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-[2-(2-methoxyethyldisulfanyl)ethyl]-4-methylpiperazine
CID 134517104
1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine
CID 155404296
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The IUPAC name of 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine (CID 130474542) is 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine is CC(C)SCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine?
The InChIKey is YSWUQGUPECXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2)13-9-8-12-6-4-11(3)5-7-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine?
1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine has a molecular weight of 202.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine is sourced from PubChem (CID 130474542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).