2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide

C16H22N2O3S3 — CID 51331024

IUPAC2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)CC(C)O1
InChIInChI=1S/C16H22N2O3S3/c1-13-9-17(10-14(2)21-13)24(19,20)18(11-15-5-3-7-22-15)12-16-6-4-8-23-16/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOACVHXRNDQYLPM-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.17
Rot. Bonds6

About 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide

2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide (PubChem CID 51331024) has the molecular formula C16H22N2O3S3 and a molecular weight of 386.56 g/mol. Its IUPAC name is 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
PubChem CID51331024
Molecular FormulaC16H22N2O3S3
Molecular Weight386.56 g/mol
Exact Mass386.08
IUPAC Name2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)CC(C)O1
InChIInChI=1S/C16H22N2O3S3/c1-13-9-17(10-14(2)21-13)24(19,20)18(11-15-5-3-7-22-15)12-16-6-4-8-23-16/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOACVHXRNDQYLPM-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
N-[(5-bromothiophen-2-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
CID 47141073
N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide
CID 120895336
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
N-(2-aminoethyl)-2,6-dimethyl-N-(2-phenylethyl)morpholine-4-sulfonamide;hydrochloride
CID 120895335
2,6-dimethyl-4-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 51330890
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
1-[2-methoxyethyl(thiophen-2-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 146121436
(2S,6R)-N,N,2,6-tetramethylmorpholine-4-sulfonamide
CID 884474
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide (CID 51331024) is 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide is CC1CN(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide?
The InChIKey is OACVHXRNDQYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S3/c1-13-9-17(10-14(2)21-13)24(19,20)18(11-15-5-3-7-22-15)12-16-6-4-8-23-16/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide?
2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide has a molecular weight of 386.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N,N-bis(thiophen-2-ylmethyl)morpholine-4-sulfonamide is sourced from PubChem (CID 51331024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).