4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol

C10H17NO3S — CID 103757451

IUPAC4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol
SMILESC#CCCCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C10H17NO3S/c1-2-3-4-5-6-11-9-7-15(13,14)8-10(9)12/h1,9-12H,3-8H2
InChIKeyIEGWAZNGMHPJMC-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.46
Rot. Bonds5

About 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol

4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol (PubChem CID 103757451) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol
PubChem CID103757451
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol
SMILESC#CCCCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C10H17NO3S/c1-2-3-4-5-6-11-9-7-15(13,14)8-10(9)12/h1,9-12H,3-8H2
InChIKeyIEGWAZNGMHPJMC-UHFFFAOYSA-N
XLogP-0.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
1,1-Dioxo-4-(5,5,5-trifluoropentylamino)thiolan-3-ol
CID 113323221
(4S)-3-{[(1R,2R)-2-fluorocyclopentyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021279
(4S)-3-{[(1R,2R)-2-fluorocyclohexyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021344
4-(Cyclohexylamino)tetrahydrothiophene-3-ol 1,1-dioxide
CID 307375
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol;hydrochloride
CID 126460539
(1S)-2-propan-2-ylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 146253532
(1R)-2-propan-2-ylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 155141449
(1S)-2-ethylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 169972742
(3R,4R)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
CID 1413771
(3R,4S)-4-(cyclohexylamino)-1,1-dioxothiolan-3-ol
CID 1413772
[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-bis(2-hydroxyethyl)azanium
CID 1994193

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol (CID 103757451) is 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol is C#CCCCCNC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is IEGWAZNGMHPJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-2-3-4-5-6-11-9-7-15(13,14)8-10(9)12/h1,9-12H,3-8H2.
What are the key properties of 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol?
4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 231.32 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 103757451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).