1-prop-2-ynylsulfonylpropane

C6H10O2S — CID 82369012

IUPAC1-prop-2-ynylsulfonylpropane
SMILESC#CCS(=O)(=O)CCC
InChIInChI=1S/C6H10O2S/c1-3-5-9(7,8)6-4-2/h1H,4-6H2,2H3
InChIKeyNZQVFEOMBZRULK-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.44
Rot. Bonds3

About 1-prop-2-ynylsulfonylpropane

1-prop-2-ynylsulfonylpropane (PubChem CID 82369012) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-prop-2-ynylsulfonylpropane.

Molecular Properties

Compound Name1-prop-2-ynylsulfonylpropane
PubChem CID82369012
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name1-prop-2-ynylsulfonylpropane
SMILESC#CCS(=O)(=O)CCC
InChIInChI=1S/C6H10O2S/c1-3-5-9(7,8)6-4-2/h1H,4-6H2,2H3
InChIKeyNZQVFEOMBZRULK-UHFFFAOYSA-N
XLogP0.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-ynylsulfonylheptane
CID 82369018
1,6-bis(prop-2-ynylsulfonyl)hexane
CID 25116402
1-propylsulfonylpropane
CID 11709
3-(methoxymethylsulfonyl)prop-1-yne
CID 82369022
propyl 2-prop-2-ynylsulfonylacetate
CID 82368949
propane-1-sulfonic acid;prop-2-yn-1-amine
CID 174672396
1,1,5-tris(prop-2-ynylsulfonyl)pentane
CID 141217392
sodium;hydride;prop-2-ynyl propane-1-sulfonate
CID 175482201
4-amino-1-propylsulfonylhept-6-yn-3-one
CID 106736855
bromo-diethyl-prop-2-ynyl-λ4-sulfane
CID 156697554
2-prop-2-ynylsulfonylacetohydrazide
CID 82368921
(E)-4,4-dimethyl-1-prop-2-ynylsulfonylpent-2-ene
CID 101213467

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylsulfonylpropane?
The IUPAC name of 1-prop-2-ynylsulfonylpropane (CID 82369012) is 1-prop-2-ynylsulfonylpropane.
What is the SMILES notation for 1-prop-2-ynylsulfonylpropane?
The canonical SMILES for 1-prop-2-ynylsulfonylpropane is C#CCS(=O)(=O)CCC.
What is the InChIKey of 1-prop-2-ynylsulfonylpropane?
The InChIKey is NZQVFEOMBZRULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-5-9(7,8)6-4-2/h1H,4-6H2,2H3.
What are the key properties of 1-prop-2-ynylsulfonylpropane?
1-prop-2-ynylsulfonylpropane has a molecular weight of 146.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylsulfonylpropane is sourced from PubChem (CID 82369012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).