1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide

C11H21N3O3S — CID 115766883

IUPAC1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C11H21N3O3S/c1-3-11(7-12)18(15,16)13-8-10-9-14(4-2)5-6-17-10/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyQFCNAEZERADNTJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.07
Rot. Bonds6

About 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide

1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 115766883) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
PubChem CID115766883
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1CN(CC)CCO1
InChIInChI=1S/C11H21N3O3S/c1-3-11(7-12)18(15,16)13-8-10-9-14(4-2)5-6-17-10/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyQFCNAEZERADNTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701
3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 106085709
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
N-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 114401404
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile
CID 79165345
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide (CID 115766883) is 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC1CN(CC)CCO1.
What is the InChIKey of 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is QFCNAEZERADNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-3-11(7-12)18(15,16)13-8-10-9-14(4-2)5-6-17-10/h10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide?
1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 115766883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).