[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol

C13H26N2O3S — CID 63005066

IUPAC[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
SMILESCS(=O)(=O)N1CCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-19(17,18)15-9-7-14(8-10-15)11-13(12-16)5-3-2-4-6-13/h16H,2-12H2,1H3
InChIKeyNHRWLYNFSZPZRQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.51
Rot. Bonds4

About [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol

[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 63005066) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
PubChem CID63005066
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
SMILESCS(=O)(=O)N1CCN(CC2(CO)CCCCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-19(17,18)15-9-7-14(8-10-15)11-13(12-16)5-3-2-4-6-13/h16H,2-12H2,1H3
InChIKeyNHRWLYNFSZPZRQ-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methylsulfonylpiperazine
CID 65006785
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 63003828
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732
[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 62264791
1-[[1-(hydroxymethyl)cycloheptyl]methyl]-4-methylpiperidin-4-ol
CID 81115505
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226563
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
[1-[(3,3-dimethylazetidin-1-yl)methyl]cyclohexyl]methanol
CID 104550772
N-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63003825

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol (CID 63005066) is [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol is CS(=O)(=O)N1CCN(CC2(CO)CCCCC2)CC1.
What is the InChIKey of [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is NHRWLYNFSZPZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-19(17,18)15-9-7-14(8-10-15)11-13(12-16)5-3-2-4-6-13/h16H,2-12H2,1H3.
What are the key properties of [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol?
[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 290.43 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 63005066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).