[1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol

C13H27N3O3S — CID 79633520

IUPAC[1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H27N3O3S/c1-14-13(11-17)5-3-4-12(10-13)15-6-8-16(9-7-15)20(2,18)19/h12,14,17H,3-11H2,1-2H3
InChIKeyJUVOVAHOZQZCEV-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.54
Rot. Bonds4

About [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol

[1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol (PubChem CID 79633520) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
PubChem CID79633520
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name[1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H27N3O3S/c1-14-13(11-17)5-3-4-12(10-13)15-6-8-16(9-7-15)20(2,18)19/h12,14,17H,3-11H2,1-2H3
InChIKeyJUVOVAHOZQZCEV-UHFFFAOYSA-N
XLogP-0.54
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol (CID 79633520) is [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol is CNC1(CO)CCCC(N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
The InChIKey is JUVOVAHOZQZCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-14-13(11-17)5-3-4-12(10-13)15-6-8-16(9-7-15)20(2,18)19/h12,14,17H,3-11H2,1-2H3.
What are the key properties of [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol?
[1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol has a molecular weight of 305.44 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 79633520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).