[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate

C15H18N2O2S3 — CID 3661171

IUPAC[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C15H18N2O2S3/c1-16(2)13-9-5-8-12-11(13)7-6-10-14(12)22(18,19)21-15(20)17(3)4/h5-10H,1-4H3
InChIKeyGHNWRZANBUWSOU-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.17
Rot. Bonds3

About [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate

[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate (PubChem CID 3661171) has the molecular formula C15H18N2O2S3 and a molecular weight of 354.52 g/mol. Its IUPAC name is [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate
PubChem CID3661171
Molecular FormulaC15H18N2O2S3
Molecular Weight354.52 g/mol
Exact Mass354.05
IUPAC Name[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C15H18N2O2S3/c1-16(2)13-9-5-8-12-11(13)7-6-10-14(12)22(18,19)21-15(20)17(3)4/h5-10H,1-4H3
InChIKeyGHNWRZANBUWSOU-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453
N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
CID 141296810
5-[[4,7-bis[[5-(dimethylamino)naphthalen-1-yl]sulfonyl]-1,4,7-triazonan-1-yl]sulfonyl]-N,N-dimethylnaphthalen-1-amine
CID 15025915
2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride
CID 175398117
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
phenyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 598567
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylacetonitrile
CID 175383513
[3-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl] 5-(dimethylamino)naphthalene-1-sulfonate
CID 598472

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate?
The IUPAC name of [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate (CID 3661171) is [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate?
The canonical SMILES for [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate?
The InChIKey is GHNWRZANBUWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S3/c1-16(2)13-9-5-8-12-11(13)7-6-10-14(12)22(18,19)21-15(20)17(3)4/h5-10H,1-4H3.
What are the key properties of [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate?
[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate has a molecular weight of 354.52 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 3661171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).