2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile

C14H14N2O2S — CID 175383513

IUPAC2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile
SMILESCN(C)c1cccc2c(S(=O)(=O)CC#N)cccc12
InChIInChI=1S/C14H14N2O2S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)19(17,18)10-9-15/h3-8H,10H2,1-2H3
InChIKeyYZNQHQGGBIGKRI-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.20
Rot. Bonds3

About 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile

2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile (PubChem CID 175383513) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile.

Molecular Properties

Compound Name2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile
PubChem CID175383513
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile
SMILESCN(C)c1cccc2c(S(=O)(=O)CC#N)cccc12
InChIInChI=1S/C14H14N2O2S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)19(17,18)10-9-15/h3-8H,10H2,1-2H3
InChIKeyYZNQHQGGBIGKRI-UHFFFAOYSA-N
XLogP2.20
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
2-(2-methylphenyl)sulfonylacetonitrile
CID 21255004
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
CID 141296810
5-(11-methoxyundecylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 58247277
phenyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 598567
[3-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl] 5-(dimethylamino)naphthalene-1-sulfonate
CID 598472
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylethyl carbonochloridate
CID 10991480
butyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 46854645
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile?
The IUPAC name of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile (CID 175383513) is 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile.
What is the SMILES notation for 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile?
The canonical SMILES for 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile is CN(C)c1cccc2c(S(=O)(=O)CC#N)cccc12.
What is the InChIKey of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile?
The InChIKey is YZNQHQGGBIGKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-16(2)13-7-3-6-12-11(13)5-4-8-14(12)19(17,18)10-9-15/h3-8H,10H2,1-2H3.
What are the key properties of 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile?
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile has a molecular weight of 274.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile is sourced from PubChem (CID 175383513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).