(4-cyclohexylpiperazin-1-yl)methanesulfinic acid

C11H22N2O2S — CID 174799485

IUPAC(4-cyclohexylpiperazin-1-yl)methanesulfinic acid
SMILESO=S(O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c14-16(15)10-12-6-8-13(9-7-12)11-4-2-1-3-5-11/h11H,1-10H2,(H,14,15)
InChIKeyBQZPSOGAUFXEQK-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.12
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)methanesulfinic acid

(4-cyclohexylpiperazin-1-yl)methanesulfinic acid (PubChem CID 174799485) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)methanesulfinic acid.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)methanesulfinic acid
PubChem CID174799485
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(4-cyclohexylpiperazin-1-yl)methanesulfinic acid
SMILESO=S(O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C11H22N2O2S/c14-16(15)10-12-6-8-13(9-7-12)11-4-2-1-3-5-11/h11H,1-10H2,(H,14,15)
InChIKeyBQZPSOGAUFXEQK-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-1-cyclopropylethanone
CID 63914774
potassium 2-(4-cyclohexylpiperazin-1-yl)acetate
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[4-[[4-(3-cyclohexyl-2H-imidazol-1-yl)phenyl]methyl]piperazin-1-yl]methanesulfinic acid
CID 174696108
1-cyclohexyl-4-ethylpiperazine;hydrochloride
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1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
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CID 17369822
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclooctylpyrrolidine
CID 23277874
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)methanesulfinic acid?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)methanesulfinic acid (CID 174799485) is (4-cyclohexylpiperazin-1-yl)methanesulfinic acid.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)methanesulfinic acid?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)methanesulfinic acid is O=S(O)CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)methanesulfinic acid?
The InChIKey is BQZPSOGAUFXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15)10-12-6-8-13(9-7-12)11-4-2-1-3-5-11/h11H,1-10H2,(H,14,15).
What are the key properties of (4-cyclohexylpiperazin-1-yl)methanesulfinic acid?
(4-cyclohexylpiperazin-1-yl)methanesulfinic acid has a molecular weight of 246.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)methanesulfinic acid is sourced from PubChem (CID 174799485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).