1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide

C9H19N3O2S — CID 103188946

IUPAC1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)CC#N
InChIInChI=1S/C9H19N3O2S/c1-5-12(9(2)8-11(3)4)15(13,14)7-6-10/h9H,5,7-8H2,1-4H3
InChIKeyXAGVVTYJOICYFS-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.11
Rot. Bonds6

About 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide

1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide (PubChem CID 103188946) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
PubChem CID103188946
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)CC#N
InChIInChI=1S/C9H19N3O2S/c1-5-12(9(2)8-11(3)4)15(13,14)7-6-10/h9H,5,7-8H2,1-4H3
InChIKeyXAGVVTYJOICYFS-UHFFFAOYSA-N
XLogP0.11
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)ethanesulfonamide
CID 103189757
1-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropane-2-sulfonamide
CID 103188523
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
CID 103187968
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(ethylamino)propane-2-sulfonamide
CID 103192324
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
CID 103188514
3-[[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 103192205
2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine
CID 103192352
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 103192351
2-[cyanomethylsulfonyl(ethyl)amino]acetamide
CID 103102496
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103188911

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
The IUPAC name of 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide (CID 103188946) is 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
The InChIKey is XAGVVTYJOICYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-5-12(9(2)8-11(3)4)15(13,14)7-6-10/h9H,5,7-8H2,1-4H3.
What are the key properties of 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide has a molecular weight of 233.34 g/mol, XLogP of 0.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 103188946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).