4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol

C10H19NO3S — CID 115638949

IUPAC4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCCC2CC2)C1
InChIInChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-5-1-2-8-3-4-8/h8-12H,1-7H2
InChIKeyCNQTUZYLERMDHD-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.08
Rot. Bonds5

About 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol

4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol (PubChem CID 115638949) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol
PubChem CID115638949
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCCCC2CC2)C1
InChIInChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-5-1-2-8-3-4-8/h8-12H,1-7H2
InChIKeyCNQTUZYLERMDHD-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-cyclopropylpropylamino)-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

(3S,4S)-4-(3-hydroxypropylamino)-1,1-dioxothiolan-3-ol
CID 6347765
4-(3-methylsulfanylpropylamino)-1,1-dioxothiolan-3-ol
CID 63966904
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propyl-dimethylazanium chloride
CID 44657176
4-(hex-5-ynylamino)-1,1-dioxothiolan-3-ol
CID 103757451
4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol
CID 60885296
4-[(5-hydroxy-4-methylpentyl)amino]-1,1-dioxothiolan-3-ol
CID 106160353
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
(3R,4S)-4-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-ol
CID 1383919
4-(cyclohexylmethylamino)-1,1-dioxothiolan-3-ol
CID 60665929

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol (CID 115638949) is 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCCCC2CC2)C1.
What is the InChIKey of 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is CNQTUZYLERMDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10-7-15(13,14)6-9(10)11-5-1-2-8-3-4-8/h8-12H,1-7H2.
What are the key properties of 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol?
4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 233.33 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 115638949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).