[4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine

C11H23N3O3S — CID 62993252

IUPAC[4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCOCC2)CC1
InChIInChI=1S/C11H23N3O3S/c1-18(15,16)14-6-4-13(5-7-14)11(10-12)2-8-17-9-3-11/h2-10,12H2,1H3
InChIKeyXLGBXSZVTRTMOT-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.93
Rot. Bonds3

About [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine

[4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine (PubChem CID 62993252) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine
PubChem CID62993252
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name[4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CCOCC2)CC1
InChIInChI=1S/C11H23N3O3S/c1-18(15,16)14-6-4-13(5-7-14)11(10-12)2-8-17-9-3-11/h2-10,12H2,1H3
InChIKeyXLGBXSZVTRTMOT-UHFFFAOYSA-N
XLogP-0.93
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine (CID 62993252) is [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine is CS(=O)(=O)N1CCN(C2(CN)CCOCC2)CC1.
What is the InChIKey of [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine?
The InChIKey is XLGBXSZVTRTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-18(15,16)14-6-4-13(5-7-14)11(10-12)2-8-17-9-3-11/h2-10,12H2,1H3.
What are the key properties of [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine?
[4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylpiperazin-1-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 62993252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).