3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine

C11H23N3O3S — CID 54972478

IUPAC3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
SMILESCC1COCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H23N3O3S/c1-11-10-17-8-6-14(11)18(15,16)9-7-13-4-2-12-3-5-13/h11-12H,2-10H2,1H3
InChIKeyMCQANBFVPWOCBS-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.06
Rot. Bonds4

About 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine

3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine (PubChem CID 54972478) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine.

Molecular Properties

Compound Name3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
PubChem CID54972478
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
SMILESCC1COCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H23N3O3S/c1-11-10-17-8-6-14(11)18(15,16)9-7-13-4-2-12-3-5-13/h11-12H,2-10H2,1H3
InChIKeyMCQANBFVPWOCBS-UHFFFAOYSA-N
XLogP-1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine?
The IUPAC name of 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine (CID 54972478) is 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine.
What is the SMILES notation for 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine?
The canonical SMILES for 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine is CC1COCCN1S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine?
The InChIKey is MCQANBFVPWOCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11-10-17-8-6-14(11)18(15,16)9-7-13-4-2-12-3-5-13/h11-12H,2-10H2,1H3.
What are the key properties of 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine?
3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine has a molecular weight of 277.39 g/mol, XLogP of -1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine is sourced from PubChem (CID 54972478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).