1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine

C13H22N2O3S2 — CID 75471365

IUPAC1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
SMILESCc1ccsc1C(C)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H22N2O3S2/c1-11-3-9-19-13(11)12(2)14-4-10-20(16,17)15-5-7-18-8-6-15/h3,9,12,14H,4-8,10H2,1-2H3
InChIKeyKDRJICGWCADXME-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.37
Rot. Bonds6

About 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine

1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine (PubChem CID 75471365) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
PubChem CID75471365
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
SMILESCc1ccsc1C(C)NCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H22N2O3S2/c1-11-3-9-19-13(11)12(2)14-4-10-20(16,17)15-5-7-18-8-6-15/h3,9,12,14H,4-8,10H2,1-2H3
InChIKeyKDRJICGWCADXME-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CID 4369091
4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
4-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006138
1-(4-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 16933201
3-fluoro-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933151
2,4-difluoro-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933157
4-fluoro-2-methyl-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933168
4-fluoro-3-methyl-N-(2-morpholino-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16933169
1-(2-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 16933199
N-[2-(4-fluorophenyl)-2-(morpholin-4-yl)ethyl]thiophene-2-sulfonamide
CID 18589482
(o-fluorophenylsulfonyl)[(R)-2-morpholino-2-(3-thienyl)ethyl]amine
CID 30606812

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine (CID 75471365) is 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine is Cc1ccsc1C(C)NCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
The InChIKey is KDRJICGWCADXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-11-3-9-19-13(11)12(2)14-4-10-20(16,17)15-5-7-18-8-6-15/h3,9,12,14H,4-8,10H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine?
1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine has a molecular weight of 318.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 75471365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).