4-(dimethylamino)but-1-yne-1-sulfonyl chloride

C6H10ClNO2S — CID 117265349

IUPAC4-(dimethylamino)but-1-yne-1-sulfonyl chloride
SMILESCN(C)CCC#CS(=O)(=O)Cl
InChIInChI=1S/C6H10ClNO2S/c1-8(2)5-3-4-6-11(7,9)10/h3,5H2,1-2H3
InChIKeyYUQLYBKGMYGATJ-UHFFFAOYSA-N
MW195.67 g/mol
LogP0.47
Rot. Bonds2

About 4-(dimethylamino)but-1-yne-1-sulfonyl chloride

4-(dimethylamino)but-1-yne-1-sulfonyl chloride (PubChem CID 117265349) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is 4-(dimethylamino)but-1-yne-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(dimethylamino)but-1-yne-1-sulfonyl chloride
PubChem CID117265349
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Name4-(dimethylamino)but-1-yne-1-sulfonyl chloride
SMILESCN(C)CCC#CS(=O)(=O)Cl
InChIInChI=1S/C6H10ClNO2S/c1-8(2)5-3-4-6-11(7,9)10/h3,5H2,1-2H3
InChIKeyYUQLYBKGMYGATJ-UHFFFAOYSA-N
XLogP0.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(dimethylamino)but-1-yne-1-sulfonyl chloride?
The IUPAC name of 4-(dimethylamino)but-1-yne-1-sulfonyl chloride (CID 117265349) is 4-(dimethylamino)but-1-yne-1-sulfonyl chloride.
What is the SMILES notation for 4-(dimethylamino)but-1-yne-1-sulfonyl chloride?
The canonical SMILES for 4-(dimethylamino)but-1-yne-1-sulfonyl chloride is CN(C)CCC#CS(=O)(=O)Cl.
What is the InChIKey of 4-(dimethylamino)but-1-yne-1-sulfonyl chloride?
The InChIKey is YUQLYBKGMYGATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2S/c1-8(2)5-3-4-6-11(7,9)10/h3,5H2,1-2H3.
What are the key properties of 4-(dimethylamino)but-1-yne-1-sulfonyl chloride?
4-(dimethylamino)but-1-yne-1-sulfonyl chloride has a molecular weight of 195.67 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)but-1-yne-1-sulfonyl chloride is sourced from PubChem (CID 117265349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).