1-(4-methylsulfanylbutan-2-yl)piperazine

C9H20N2S — CID 112703762

IUPAC1-(4-methylsulfanylbutan-2-yl)piperazine
SMILESCSCCC(C)N1CCNCC1
InChIInChI=1S/C9H20N2S/c1-9(3-8-12-2)11-6-4-10-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyVBSMKLHITAAXNC-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-methylsulfanylbutan-2-yl)piperazine

1-(4-methylsulfanylbutan-2-yl)piperazine (PubChem CID 112703762) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(4-methylsulfanylbutan-2-yl)piperazine.

Molecular Properties

Compound Name1-(4-methylsulfanylbutan-2-yl)piperazine
PubChem CID112703762
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name1-(4-methylsulfanylbutan-2-yl)piperazine
SMILESCSCCC(C)N1CCNCC1
InChIInChI=1S/C9H20N2S/c1-9(3-8-12-2)11-6-4-10-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyVBSMKLHITAAXNC-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-heptan-2-ylpiperazine
CID 61464712
1-(1-iodopropan-2-yl)piperazine
CID 69349965
1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
CID 116931963
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-octan-2-yl-1,4-diazepane
CID 61057071
4-methyl-N-(3-piperazin-1-ylbutyl)pentan-1-amine
CID 115255515
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
1-[(2S)-1-ethylsulfanylpropan-2-yl]-1,4-diazepane
CID 124594878

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylbutan-2-yl)piperazine?
The IUPAC name of 1-(4-methylsulfanylbutan-2-yl)piperazine (CID 112703762) is 1-(4-methylsulfanylbutan-2-yl)piperazine.
What is the SMILES notation for 1-(4-methylsulfanylbutan-2-yl)piperazine?
The canonical SMILES for 1-(4-methylsulfanylbutan-2-yl)piperazine is CSCCC(C)N1CCNCC1.
What is the InChIKey of 1-(4-methylsulfanylbutan-2-yl)piperazine?
The InChIKey is VBSMKLHITAAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-9(3-8-12-2)11-6-4-10-5-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylbutan-2-yl)piperazine?
1-(4-methylsulfanylbutan-2-yl)piperazine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylbutan-2-yl)piperazine is sourced from PubChem (CID 112703762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).