2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol

C15H30N2O3S — CID 75434377

IUPAC2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol
SMILESCCCCCS(=O)(=O)N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-6-13-21(19,20)17-11-9-16(10-12-17)14-7-4-5-8-15(14)18/h14-15,18H,2-13H2,1H3
InChIKeySLLRQEONJOYYSN-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.43
Rot. Bonds6

About 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol

2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 75434377) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID75434377
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol
SMILESCCCCCS(=O)(=O)N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C15H30N2O3S/c1-2-3-6-13-21(19,20)17-11-9-16(10-12-17)14-7-4-5-8-15(14)18/h14-15,18H,2-13H2,1H3
InChIKeySLLRQEONJOYYSN-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-benzyl-4-(4-pentylsulfonylpiperazin-1-yl)pyrrolidin-3-ol
CID 68862832
1-ethylsulfonyl-4-(2-methylcyclohexyl)piperazine
CID 3145555
1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79545152
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
2-(1-butylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543937
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(1-butylsulfonylpiperidin-4-yl)methanone
CID 60611038
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329
(2R)-2-butoxy-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758847

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol (CID 75434377) is 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol is CCCCCS(=O)(=O)N1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is SLLRQEONJOYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-2-3-6-13-21(19,20)17-11-9-16(10-12-17)14-7-4-5-8-15(14)18/h14-15,18H,2-13H2,1H3.
What are the key properties of 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol?
2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 318.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylsulfonylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 75434377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).