2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide

C12H20N2O3S2 — CID 715945

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-10-9-12(11(2)18-10)19(15,16)13-3-4-14-5-7-17-8-6-14/h9,13H,3-8H2,1-2H3
InChIKeyVIICYSKLEJKRMZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.98
Rot. Bonds5

About 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide

2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide (PubChem CID 715945) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide
PubChem CID715945
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1
InChIInChI=1S/C12H20N2O3S2/c1-10-9-12(11(2)18-10)19(15,16)13-3-4-14-5-7-17-8-6-14/h9,13H,3-8H2,1-2H3
InChIKeyVIICYSKLEJKRMZ-UHFFFAOYSA-N
XLogP0.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2,3-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide 1
CID 19434103
5-Methyl-2-(morpholin-4-ylsulfonyl)thiophene
CID 2090984
5-methyl-N-[2-(4-morpholinyl)ethyl]-2-thiophenesulfonamide
CID 2241010
4-(2,5-Dimethylthiophen-3-yl)sulfonylmorpholine
CID 715044
(5-(Morpholine-4-sulfonyl)thiophen-2-yl)methanamine
CID 16227260
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide
CID 6602862
N-[2-(dimethylamino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 6602863
N-(3-methoxypropyl)-2,5-dimethylthiophene-3-sulfonamide
CID 25503721
N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 71878230
4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzenesulfonamide
CID 6459431
[5-(Morpholine-4-sulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 16340542
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperazine hydrochloride
CID 47002261

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide (CID 715945) is 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCCN2CCOCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide?
The InChIKey is VIICYSKLEJKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-10-9-12(11(2)18-10)19(15,16)13-3-4-14-5-7-17-8-6-14/h9,13H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 715945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).