1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide

C8H15NO2S2 — CID 167272241

IUPAC1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide
SMILESCS(C)(C)C#CC1(S(N)(=O)=O)CC1
InChIInChI=1S/C8H15NO2S2/c1-12(2,3)7-6-8(4-5-8)13(9,10)11/h4-5H2,1-3H3,(H2,9,10,11)
InChIKeyMWVDOANTGLMVBS-UHFFFAOYSA-N
MW221.35 g/mol
LogP0.46
Rot. Bonds1

About 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide

1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide (PubChem CID 167272241) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide
PubChem CID167272241
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC Name1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide
SMILESCS(C)(C)C#CC1(S(N)(=O)=O)CC1
InChIInChI=1S/C8H15NO2S2/c1-12(2,3)7-6-8(4-5-8)13(9,10)11/h4-5H2,1-3H3,(H2,9,10,11)
InChIKeyMWVDOANTGLMVBS-UHFFFAOYSA-N
XLogP0.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.46
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 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide (CID 167272241) is 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide is CS(C)(C)C#CC1(S(N)(=O)=O)CC1.
What is the InChIKey of 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide?
The InChIKey is MWVDOANTGLMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-12(2,3)7-6-8(4-5-8)13(9,10)11/h4-5H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide?
1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide has a molecular weight of 221.35 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 167272241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).