4-[methyl(thiolan-3-yl)amino]butan-1-ol

C9H19NOS — CID 43509533

IUPAC4-[methyl(thiolan-3-yl)amino]butan-1-ol
SMILESCN(CCCCO)C1CCSC1
InChIInChI=1S/C9H19NOS/c1-10(5-2-3-6-11)9-4-7-12-8-9/h9,11H,2-8H2,1H3
InChIKeyKNHAGIDXOCGOHH-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds5

About 4-[methyl(thiolan-3-yl)amino]butan-1-ol

4-[methyl(thiolan-3-yl)amino]butan-1-ol (PubChem CID 43509533) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-[methyl(thiolan-3-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl(thiolan-3-yl)amino]butan-1-ol
PubChem CID43509533
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-[methyl(thiolan-3-yl)amino]butan-1-ol
SMILESCN(CCCCO)C1CCSC1
InChIInChI=1S/C9H19NOS/c1-10(5-2-3-6-11)9-4-7-12-8-9/h9,11H,2-8H2,1H3
InChIKeyKNHAGIDXOCGOHH-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[methyl(thiolan-3-yl)amino]butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiolan-3-yl)amino]butan-1-ol?
The IUPAC name of 4-[methyl(thiolan-3-yl)amino]butan-1-ol (CID 43509533) is 4-[methyl(thiolan-3-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[methyl(thiolan-3-yl)amino]butan-1-ol?
The canonical SMILES for 4-[methyl(thiolan-3-yl)amino]butan-1-ol is CN(CCCCO)C1CCSC1.
What is the InChIKey of 4-[methyl(thiolan-3-yl)amino]butan-1-ol?
The InChIKey is KNHAGIDXOCGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-10(5-2-3-6-11)9-4-7-12-8-9/h9,11H,2-8H2,1H3.
What are the key properties of 4-[methyl(thiolan-3-yl)amino]butan-1-ol?
4-[methyl(thiolan-3-yl)amino]butan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiolan-3-yl)amino]butan-1-ol is sourced from PubChem (CID 43509533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).