3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine

C12H24N2O3S — CID 81460858

IUPAC3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)CC2CCCO2)CCC1N
InChIInChI=1S/C12H24N2O3S/c1-2-10-8-14(6-5-12(10)13)18(15,16)9-11-4-3-7-17-11/h10-12H,2-9,13H2,1H3
InChIKeyLWLMUBXLVOLRJZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.55
Rot. Bonds4

About 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine

3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine (PubChem CID 81460858) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
PubChem CID81460858
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)CC2CCCO2)CCC1N
InChIInChI=1S/C12H24N2O3S/c1-2-10-8-14(6-5-12(10)13)18(15,16)9-11-4-3-7-17-11/h10-12H,2-9,13H2,1H3
InChIKeyLWLMUBXLVOLRJZ-UHFFFAOYSA-N
XLogP0.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine (CID 81460858) is 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine is CCC1CN(S(=O)(=O)CC2CCCO2)CCC1N.
What is the InChIKey of 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine?
The InChIKey is LWLMUBXLVOLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-10-8-14(6-5-12(10)13)18(15,16)9-11-4-3-7-17-11/h10-12H,2-9,13H2,1H3.
What are the key properties of 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine?
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 81460858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).