3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine

C12H24N2O3S — CID 54972435

IUPAC3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
SMILESCCC1COCCN1S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-2-12-9-17-8-7-14(12)18(15,16)10-11-3-5-13-6-4-11/h11-13H,2-10H2,1H3
InChIKeyZRKYMQCQWSWOBS-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds4

About 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine

3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine (PubChem CID 54972435) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
PubChem CID54972435
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
SMILESCCC1COCCN1S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-2-12-9-17-8-7-14(12)18(15,16)10-11-3-5-13-6-4-11/h11-13H,2-10H2,1H3
InChIKeyZRKYMQCQWSWOBS-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
The IUPAC name of 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine (CID 54972435) is 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
The canonical SMILES for 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine is CCC1COCCN1S(=O)(=O)CC1CCNCC1.
What is the InChIKey of 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
The InChIKey is ZRKYMQCQWSWOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-12-9-17-8-7-14(12)18(15,16)10-11-3-5-13-6-4-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine?
3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 54972435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).