N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide

C12H22N2O5S — CID 127300025

IUPACN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCOC1)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O5S/c1-10(12(15)14-3-6-18-7-4-14)13-20(16,17)9-11-2-5-19-8-11/h10-11,13H,2-9H2,1H3
InChIKeyNVXDLKIXCLVGFR-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.81
Rot. Bonds5

About N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide (PubChem CID 127300025) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
PubChem CID127300025
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCOC1)C(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O5S/c1-10(12(15)14-3-6-18-7-4-14)13-20(16,17)9-11-2-5-19-8-11/h10-11,13H,2-9H2,1H3
InChIKeyNVXDLKIXCLVGFR-UHFFFAOYSA-N
XLogP-0.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-2-morpholinoacetamide
CID 91911012
N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 69704561
4-[4-[2-(2-Methylbutanoylamino)ethyl]morpholin-4-ium-4-yl]butane-1-sulfonate
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(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
CID 141017699
Methyl 3-[4-[2-(2-methylbutanoylamino)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonate
CID 167097488
2-[4-[2-(2-Methylpropanoylamino)ethyl]morpholin-4-ium-4-yl]ethanesulfonate
CID 171465535
3-[4-[2-(2-Methylpropanoylamino)ethyl]morpholin-4-ium-4-yl]propane-1-sulfonate
CID 171465541
N-(2-methoxyethyl)-2-methyl-3-piperazin-1-ylsulfonylpropanamide
CID 24253570
2-Methyl-1-morpholin-4-yl-3-piperazin-1-ylsulfonylpropan-1-one
CID 24253576
2-[(1,1-Dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 43083358
2-Amino-1-(3-ethylmorpholin-4-yl)-4-methylsulfonylbutan-1-one
CID 43613242
N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide
CID 47143469

Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide (CID 127300025) is N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide is CC(NS(=O)(=O)CC1CCOC1)C(=O)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide?
The InChIKey is NVXDLKIXCLVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-10(12(15)14-3-6-18-7-4-14)13-20(16,17)9-11-2-5-19-8-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide?
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide has a molecular weight of 306.38 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 127300025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).