3-(diethylsulfamoylamino)pent-1-yne

C9H18N2O2S — CID 106898681

IUPAC3-(diethylsulfamoylamino)pent-1-yne
SMILESC#CC(CC)NS(=O)(=O)N(CC)CC
InChIInChI=1S/C9H18N2O2S/c1-5-9(6-2)10-14(12,13)11(7-3)8-4/h1,9-10H,6-8H2,2-4H3
InChIKeyCZYNAUMVAWMFNB-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.57
Rot. Bonds6

About 3-(diethylsulfamoylamino)pent-1-yne

3-(diethylsulfamoylamino)pent-1-yne (PubChem CID 106898681) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)pent-1-yne.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)pent-1-yne
PubChem CID106898681
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-(diethylsulfamoylamino)pent-1-yne
SMILESC#CC(CC)NS(=O)(=O)N(CC)CC
InChIInChI=1S/C9H18N2O2S/c1-5-9(6-2)10-14(12,13)11(7-3)8-4/h1,9-10H,6-8H2,2-4H3
InChIKeyCZYNAUMVAWMFNB-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)pent-1-yne?
The IUPAC name of 3-(diethylsulfamoylamino)pent-1-yne (CID 106898681) is 3-(diethylsulfamoylamino)pent-1-yne.
What is the SMILES notation for 3-(diethylsulfamoylamino)pent-1-yne?
The canonical SMILES for 3-(diethylsulfamoylamino)pent-1-yne is C#CC(CC)NS(=O)(=O)N(CC)CC.
What is the InChIKey of 3-(diethylsulfamoylamino)pent-1-yne?
The InChIKey is CZYNAUMVAWMFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-9(6-2)10-14(12,13)11(7-3)8-4/h1,9-10H,6-8H2,2-4H3.
What are the key properties of 3-(diethylsulfamoylamino)pent-1-yne?
3-(diethylsulfamoylamino)pent-1-yne has a molecular weight of 218.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)pent-1-yne is sourced from PubChem (CID 106898681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).