benzenesulfonamido N,N-dibutylcarbamodithioate

C15H24N2O2S3 — CID 88798592

IUPACbenzenesulfonamido N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S3/c1-3-5-12-17(13-6-4-2)15(20)21-16-22(18,19)14-10-8-7-9-11-14/h7-11,16H,3-6,12-13H2,1-2H3
InChIKeyGSSYQSAMMIVDSC-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.80
Rot. Bonds9

About benzenesulfonamido N,N-dibutylcarbamodithioate

benzenesulfonamido N,N-dibutylcarbamodithioate (PubChem CID 88798592) has the molecular formula C15H24N2O2S3 and a molecular weight of 360.57 g/mol. Its IUPAC name is benzenesulfonamido N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Namebenzenesulfonamido N,N-dibutylcarbamodithioate
PubChem CID88798592
Molecular FormulaC15H24N2O2S3
Molecular Weight360.57 g/mol
Exact Mass360.10
IUPAC Namebenzenesulfonamido N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S3/c1-3-5-12-17(13-6-4-2)15(20)21-16-22(18,19)14-10-8-7-9-11-14/h7-11,16H,3-6,12-13H2,1-2H3
InChIKeyGSSYQSAMMIVDSC-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-benzenesulfonyliminomethyl]-1,1-dibutylthiourea
CID 134920292
1,1-dibutyl-3-phenylthiourea
CID 3101699
1,1-dibutyl-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8624419
[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate
CID 10794904
N,N-dibutylbenzenecarbothioamide
CID 12716080
N-[3-(benzenesulfonyl)propyl]-N-butylbutan-1-amine
CID 71408649
N-tridecylbenzenesulfonamide
CID 3514704
1,1-dihexyl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 19653425
3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
CID 110294976
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
benzenesulfonic acid;nonane
CID 158294552
phenyl N,N-dipropylcarbamodithioate
CID 132502476

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamido N,N-dibutylcarbamodithioate?
The IUPAC name of benzenesulfonamido N,N-dibutylcarbamodithioate (CID 88798592) is benzenesulfonamido N,N-dibutylcarbamodithioate.
What is the SMILES notation for benzenesulfonamido N,N-dibutylcarbamodithioate?
The canonical SMILES for benzenesulfonamido N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)SNS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamido N,N-dibutylcarbamodithioate?
The InChIKey is GSSYQSAMMIVDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S3/c1-3-5-12-17(13-6-4-2)15(20)21-16-22(18,19)14-10-8-7-9-11-14/h7-11,16H,3-6,12-13H2,1-2H3.
What are the key properties of benzenesulfonamido N,N-dibutylcarbamodithioate?
benzenesulfonamido N,N-dibutylcarbamodithioate has a molecular weight of 360.57 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamido N,N-dibutylcarbamodithioate is sourced from PubChem (CID 88798592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).