N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide

C11H24N2O5S2 — CID 110345658

IUPACN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1C
InChIInChI=1S/C11H24N2O5S2/c1-3-4-8-19(14,15)12-5-9-20(16,17)13-6-7-18-10-11(13)2/h11-12H,3-10H2,1-2H3
InChIKeyXGEZUPQZHOOKDR-UHFFFAOYSA-N
MW328.46 g/mol
LogP-0.24
Rot. Bonds8

About N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide (PubChem CID 110345658) has the molecular formula C11H24N2O5S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
PubChem CID110345658
Molecular FormulaC11H24N2O5S2
Molecular Weight328.46 g/mol
Exact Mass328.11
IUPAC NameN-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1C
InChIInChI=1S/C11H24N2O5S2/c1-3-4-8-19(14,15)12-5-9-20(16,17)13-6-7-18-10-11(13)2/h11-12H,3-10H2,1-2H3
InChIKeyXGEZUPQZHOOKDR-UHFFFAOYSA-N
XLogP-0.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
CID 54972478
3-methyl-4-prop-2-ynylsulfonylmorpholine
CID 130620453
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
CID 110345641
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
CID 110345613

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide (CID 110345658) is N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1C.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide?
The InChIKey is XGEZUPQZHOOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5S2/c1-3-4-8-19(14,15)12-5-9-20(16,17)13-6-7-18-10-11(13)2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide?
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of -0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide is sourced from PubChem (CID 110345658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).