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

1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one
CID 156718646
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
CID 112551283
1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide
CID 112705175
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
2-(4-methylpentan-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 43372158
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 113484800
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736

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).