(dimethylsulfamoylamino)ethyne

C4H8N2O2S — CID 121316959

IUPAC(dimethylsulfamoylamino)ethyne
SMILESC#CNS(=O)(=O)N(C)C
InChIInChI=1S/C4H8N2O2S/c1-4-5-9(7,8)6(2)3/h1,5H,2-3H3
InChIKeySLBCKSGTHOXGTJ-UHFFFAOYSA-N
MW148.19 g/mol
LogP-1.03
Rot. Bonds2

About (dimethylsulfamoylamino)ethyne

(dimethylsulfamoylamino)ethyne (PubChem CID 121316959) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is (dimethylsulfamoylamino)ethyne.

Molecular Properties

Compound Name(dimethylsulfamoylamino)ethyne
PubChem CID121316959
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name(dimethylsulfamoylamino)ethyne
SMILESC#CNS(=O)(=O)N(C)C
InChIInChI=1S/C4H8N2O2S/c1-4-5-9(7,8)6(2)3/h1,5H,2-3H3
InChIKeySLBCKSGTHOXGTJ-UHFFFAOYSA-N
XLogP-1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dimethylsulfamoylamino)ethyne?
The IUPAC name of (dimethylsulfamoylamino)ethyne (CID 121316959) is (dimethylsulfamoylamino)ethyne.
What is the SMILES notation for (dimethylsulfamoylamino)ethyne?
The canonical SMILES for (dimethylsulfamoylamino)ethyne is C#CNS(=O)(=O)N(C)C.
What is the InChIKey of (dimethylsulfamoylamino)ethyne?
The InChIKey is SLBCKSGTHOXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-4-5-9(7,8)6(2)3/h1,5H,2-3H3.
What are the key properties of (dimethylsulfamoylamino)ethyne?
(dimethylsulfamoylamino)ethyne has a molecular weight of 148.19 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylsulfamoylamino)ethyne is sourced from PubChem (CID 121316959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).