2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine

C12H24N2O3S — CID 54973972

IUPAC2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CC2CCCCN2)C(C)CO1
InChIInChI=1S/C12H24N2O3S/c1-10-8-17-11(2)7-14(10)18(15,16)9-12-5-3-4-6-13-12/h10-13H,3-9H2,1-2H3
InChIKeyBODVKCJSBUOVIA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds3

About 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine

2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine (PubChem CID 54973972) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
PubChem CID54973972
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)CC2CCCCN2)C(C)CO1
InChIInChI=1S/C12H24N2O3S/c1-10-8-17-11(2)7-14(10)18(15,16)9-12-5-3-4-6-13-12/h10-13H,3-9H2,1-2H3
InChIKeyBODVKCJSBUOVIA-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
1-(2,5-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211391
2-(2,5-dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
(2S,5R)-2,5-dimethylmorpholine-4-sulfonyl chloride
CID 94843085
3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine
CID 54972436
4-[(2,5-dimethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43544294
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine?
The IUPAC name of 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine (CID 54973972) is 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine.
What is the SMILES notation for 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine?
The canonical SMILES for 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine is CC1CN(S(=O)(=O)CC2CCCCN2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine?
The InChIKey is BODVKCJSBUOVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-8-17-11(2)7-14(10)18(15,16)9-12-5-3-4-6-13-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine?
2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine has a molecular weight of 276.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(piperidin-2-ylmethylsulfonyl)morpholine is sourced from PubChem (CID 54973972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).