5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine

C17H33N3O4S — CID 156650236

IUPAC5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine
SMILESCOC1NCC(NCC2CCOC2)NC1C1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C17H33N3O4S/c1-23-17-16(13-3-5-14(6-4-13)25(2,21)22)20-15(10-19-17)18-9-12-7-8-24-11-12/h12-20H,3-11H2,1-2H3
InChIKeyOWCUQNOGRCTLIA-UHFFFAOYSA-N
MW375.54 g/mol
LogP0.08
Rot. Bonds6

About 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine

5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine (PubChem CID 156650236) has the molecular formula C17H33N3O4S and a molecular weight of 375.54 g/mol. Its IUPAC name is 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine.

Molecular Properties

Compound Name5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine
PubChem CID156650236
Molecular FormulaC17H33N3O4S
Molecular Weight375.54 g/mol
Exact Mass375.22
IUPAC Name5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine
SMILESCOC1NCC(NCC2CCOC2)NC1C1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C17H33N3O4S/c1-23-17-16(13-3-5-14(6-4-13)25(2,21)22)20-15(10-19-17)18-9-12-7-8-24-11-12/h12-20H,3-11H2,1-2H3
InChIKeyOWCUQNOGRCTLIA-UHFFFAOYSA-N
XLogP0.08
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine?
The IUPAC name of 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine (CID 156650236) is 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine.
What is the SMILES notation for 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine?
The canonical SMILES for 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine is COC1NCC(NCC2CCOC2)NC1C1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine?
The InChIKey is OWCUQNOGRCTLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4S/c1-23-17-16(13-3-5-14(6-4-13)25(2,21)22)20-15(10-19-17)18-9-12-7-8-24-11-12/h12-20H,3-11H2,1-2H3.
What are the key properties of 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine?
5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine has a molecular weight of 375.54 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methylsulfonylcyclohexyl)-N-(oxolan-3-ylmethyl)piperazin-2-amine is sourced from PubChem (CID 156650236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).