1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide

C11H19N3O4S — CID 112705175

IUPAC1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19N3O4S/c1-3-10(8-12)19(16,17)13-9(2)11(15)14-4-6-18-7-5-14/h9-10,13H,3-7H2,1-2H3
InChIKeyPJYMWCMEAFCKFC-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.54
Rot. Bonds5

About 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide

1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide (PubChem CID 112705175) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide
PubChem CID112705175
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19N3O4S/c1-3-10(8-12)19(16,17)13-9(2)11(15)14-4-6-18-7-5-14/h9-10,13H,3-7H2,1-2H3
InChIKeyPJYMWCMEAFCKFC-UHFFFAOYSA-N
XLogP-0.54
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 127300025
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide (CID 112705175) is 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide?
The InChIKey is PJYMWCMEAFCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-10(8-12)19(16,17)13-9(2)11(15)14-4-6-18-7-5-14/h9-10,13H,3-7H2,1-2H3.
What are the key properties of 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide?
1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 112705175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).