2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine

C12H18N2O3S — CID 47429920

IUPAC2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccnc2)CC(C)(C)O1
InChIInChI=1S/C12H18N2O3S/c1-10-8-14(9-12(2,3)17-10)18(15,16)11-5-4-6-13-7-11/h4-7,10H,8-9H2,1-3H3
InChIKeyMOGSQRHBVQNPNR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.27
Rot. Bonds2

About 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine

2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine (PubChem CID 47429920) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
PubChem CID47429920
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccnc2)CC(C)(C)O1
InChIInChI=1S/C12H18N2O3S/c1-10-8-14(9-12(2,3)17-10)18(15,16)11-5-4-6-13-7-11/h4-7,10H,8-9H2,1-3H3
InChIKeyMOGSQRHBVQNPNR-UHFFFAOYSA-N
XLogP1.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-Chloropyridin-3-yl)sulfonyl]morpholine
CID 274147
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
2-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanol
CID 9114074
2,6-Dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 4779888
6-chloro-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 1814408
2,6-Dimethyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)morpholine
CID 4882124
4-{[4-(4-Isopropyl-1-piperazinyl)-3-pyridinyl]sulfonyl}morpholine
CID 1214518
3-(Morpholinosulfonyl)pyridine
CID 4276436
4-[(6-Pyrrolidin-1-yl-3-pyridinyl)sulfonyl]morpholine
CID 5268063
N,N-dimethyl-6-(4-morpholinyl)-3-pyridinesulfonamide
CID 829845
2-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile
CID 7774832
5-(Morpholine-4-sulfonyl)pyridin-2-amine
CID 5268062

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine?
The IUPAC name of 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine (CID 47429920) is 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine?
The canonical SMILES for 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine is CC1CN(S(=O)(=O)c2cccnc2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine?
The InChIKey is MOGSQRHBVQNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-8-14(9-12(2,3)17-10)18(15,16)11-5-4-6-13-7-11/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine?
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine has a molecular weight of 270.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine is sourced from PubChem (CID 47429920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).