methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate

C9H19NO2S3 — CID 117059204

IUPACmethyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate
SMILESCSC(=S)CS(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H19NO2S3/c1-7(2)10(8(3)4)15(11,12)6-9(13)14-5/h7-8H,6H2,1-5H3
InChIKeyYGKYNWONINENQY-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate

methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate (PubChem CID 117059204) has the molecular formula C9H19NO2S3 and a molecular weight of 269.46 g/mol. Its IUPAC name is methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate.

Molecular Properties

Compound Namemethyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate
PubChem CID117059204
Molecular FormulaC9H19NO2S3
Molecular Weight269.46 g/mol
Exact Mass269.06
IUPAC Namemethyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate
SMILESCSC(=S)CS(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H19NO2S3/c1-7(2)10(8(3)4)15(11,12)6-9(13)14-5/h7-8H,6H2,1-5H3
InChIKeyYGKYNWONINENQY-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(propan-2-yl)ethanesulfonamide
CID 3289511
O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate
CID 175152556
methyl 4,4-dimethyl-3-oxopentanedithioate
CID 125492406
pentan-3-yl(propan-2-yl)sulfamic acid
CID 156663474
propan-2-yl 2-hydroxyethanedithioate
CID 91188291
S-methyl N-methyl-N-propan-2-ylcarbamothioate
CID 139377441
methanesulfonic acid;methylsulfanylmethane
CID 174896398
S-methyl N-[methyl-[1-[methyl-(methylsulfanylcarbonylamino)amino]ethyl]amino]carbamothioate
CID 137417319
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane
CID 173311356
methyl 4-chlorobutanedithioate
CID 55302963
di(butan-2-yl)sulfamic acid
CID 156663387

Frequently Asked Questions

What is the IUPAC name of methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate?
The IUPAC name of methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate (CID 117059204) is methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate.
What is the SMILES notation for methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate?
The canonical SMILES for methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate is CSC(=S)CS(=O)(=O)N(C(C)C)C(C)C.
What is the InChIKey of methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate?
The InChIKey is YGKYNWONINENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S3/c1-7(2)10(8(3)4)15(11,12)6-9(13)14-5/h7-8H,6H2,1-5H3.
What are the key properties of methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate?
methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate has a molecular weight of 269.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate is sourced from PubChem (CID 117059204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).