1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene

C16H19N3O2S — CID 134035733

IUPAC1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene
SMILESCC(NS(=O)(=O)N(C)CCC#N)c1cccc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-13(18-22(20,21)19(2)12-6-11-17)15-10-5-8-14-7-3-4-9-16(14)15/h3-5,7-10,13,18H,6,12H2,1-2H3
InChIKeyYMWNHYAJAPUOSS-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.58
Rot. Bonds6

About 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene

1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene (PubChem CID 134035733) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene.

Molecular Properties

Compound Name1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene
PubChem CID134035733
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene
SMILESCC(NS(=O)(=O)N(C)CCC#N)c1cccc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-13(18-22(20,21)19(2)12-6-11-17)15-10-5-8-14-7-3-4-9-16(14)15/h3-5,7-10,13,18H,6,12H2,1-2H3
InChIKeyYMWNHYAJAPUOSS-UHFFFAOYSA-N
XLogP2.58
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene?
The IUPAC name of 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene (CID 134035733) is 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene.
What is the SMILES notation for 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene?
The canonical SMILES for 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene is CC(NS(=O)(=O)N(C)CCC#N)c1cccc2ccccc12.
What is the InChIKey of 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene?
The InChIKey is YMWNHYAJAPUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-13(18-22(20,21)19(2)12-6-11-17)15-10-5-8-14-7-3-4-9-16(14)15/h3-5,7-10,13,18H,6,12H2,1-2H3.
What are the key properties of 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene?
1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene has a molecular weight of 317.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]naphthalene is sourced from PubChem (CID 134035733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).