deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol

C15H35NO3S — CID 90823579

IUPACdeuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
SMILESCC.CCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1.[2H]C
InChIInChI=1S/C12H25NO3S.C2H6.CH4/c1-4-17(15,16)10-9-13-7-5-11(6-8-13)12(2,3)14;1-2;/h11,14H,4-10H2,1-3H3;1-2H3;1H4/i;;1D
InChIKeyFRRKYGLARGQYRT-PRQZKWGPSA-N
MW310.52 g/mol
LogP2.57
Rot. Bonds5

About deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol

deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol (PubChem CID 90823579) has the molecular formula C15H35NO3S and a molecular weight of 310.52 g/mol. Its IUPAC name is deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Namedeuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
PubChem CID90823579
Molecular FormulaC15H35NO3S
Molecular Weight310.52 g/mol
Exact Mass310.24
IUPAC Namedeuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol
SMILESCC.CCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1.[2H]C
InChIInChI=1S/C12H25NO3S.C2H6.CH4/c1-4-17(15,16)10-9-13-7-5-11(6-8-13)12(2,3)14;1-2;/h11,14H,4-10H2,1-3H3;1-2H3;1H4/i;;1D
InChIKeyFRRKYGLARGQYRT-PRQZKWGPSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol (CID 90823579) is deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol is CC.CCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1.[2H]C.
What is the InChIKey of deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
The InChIKey is FRRKYGLARGQYRT-PRQZKWGPSA-N. The full InChI is InChI=1S/C12H25NO3S.C2H6.CH4/c1-4-17(15,16)10-9-13-7-5-11(6-8-13)12(2,3)14;1-2;/h11,14H,4-10H2,1-3H3;1-2H3;1H4/i;;1D.
What are the key properties of deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol?
deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol has a molecular weight of 310.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;ethane;2-[1-(2-ethylsulfonylethyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 90823579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).