2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide

C12H25N3O5S2 — CID 47958261

IUPAC2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC2CCCN(S(C)(=O)=O)C2)CC(C)O1
InChIInChI=1S/C12H25N3O5S2/c1-10-7-15(8-11(2)20-10)22(18,19)13-12-5-4-6-14(9-12)21(3,16)17/h10-13H,4-9H2,1-3H3
InChIKeyHHRKXCLOJIWUOA-UHFFFAOYSA-N
MW355.48 g/mol
LogP-0.65
Rot. Bonds4

About 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide

2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide (PubChem CID 47958261) has the molecular formula C12H25N3O5S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide
PubChem CID47958261
Molecular FormulaC12H25N3O5S2
Molecular Weight355.48 g/mol
Exact Mass355.12
IUPAC Name2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC2CCCN(S(C)(=O)=O)C2)CC(C)O1
InChIInChI=1S/C12H25N3O5S2/c1-10-7-15(8-11(2)20-10)22(18,19)13-12-5-4-6-14(9-12)21(3,16)17/h10-13H,4-9H2,1-3H3
InChIKeyHHRKXCLOJIWUOA-UHFFFAOYSA-N
XLogP-0.65
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 119967715
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
(3R)-N-cyclopentyl-1-methylsulfonylpiperidine-3-sulfonamide
CID 97348297
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane
CID 98168048
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
2,4,5-trifluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 136573940

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide (CID 47958261) is 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NC2CCCN(S(C)(=O)=O)C2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide?
The InChIKey is HHRKXCLOJIWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O5S2/c1-10-7-15(8-11(2)20-10)22(18,19)13-12-5-4-6-14(9-12)21(3,16)17/h10-13H,4-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide?
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide has a molecular weight of 355.48 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 47958261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).