1-cyclohexylsulfinylpiperazine

C10H20N2OS — CID 83705064

IUPAC1-cyclohexylsulfinylpiperazine
SMILESO=S(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C10H20N2OS/c13-14(10-4-2-1-3-5-10)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKeyZSVROGYOIFYZHJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.89
Rot. Bonds2

About 1-cyclohexylsulfinylpiperazine

1-cyclohexylsulfinylpiperazine (PubChem CID 83705064) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-cyclohexylsulfinylpiperazine.

Molecular Properties

Compound Name1-cyclohexylsulfinylpiperazine
PubChem CID83705064
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-cyclohexylsulfinylpiperazine
SMILESO=S(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C10H20N2OS/c13-14(10-4-2-1-3-5-10)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKeyZSVROGYOIFYZHJ-UHFFFAOYSA-N
XLogP0.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfinylpiperazine?
The IUPAC name of 1-cyclohexylsulfinylpiperazine (CID 83705064) is 1-cyclohexylsulfinylpiperazine.
What is the SMILES notation for 1-cyclohexylsulfinylpiperazine?
The canonical SMILES for 1-cyclohexylsulfinylpiperazine is O=S(C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-cyclohexylsulfinylpiperazine?
The InChIKey is ZSVROGYOIFYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c13-14(10-4-2-1-3-5-10)12-8-6-11-7-9-12/h10-11H,1-9H2.
What are the key properties of 1-cyclohexylsulfinylpiperazine?
1-cyclohexylsulfinylpiperazine has a molecular weight of 216.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfinylpiperazine is sourced from PubChem (CID 83705064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).