1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol

C9H19NOS — CID 79138497

IUPAC1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1(CN)CCC1
InChIInChI=1S/C9H19NOS/c1-12-6-3-8(11)9(7-10)4-2-5-9/h8,11H,2-7,10H2,1H3
InChIKeyUVWAPTAENLLBAE-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.23
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol

1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol (PubChem CID 79138497) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
PubChem CID79138497
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1(CN)CCC1
InChIInChI=1S/C9H19NOS/c1-12-6-3-8(11)9(7-10)4-2-5-9/h8,11H,2-7,10H2,1H3
InChIKeyUVWAPTAENLLBAE-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-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

Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-ethylsulfanylpropan-1-ol
CID 116505141
1-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylsulfanylbutan-1-ol
CID 103090561
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
CID 165447050
3-[1-(aminomethyl)cyclobutyl]butan-1-ol
CID 71758156
[1-(aminomethyl)cyclobutyl]-(2,2-dimethylcyclopropyl)methanol
CID 165443186
[1-(aminomethyl)cyclopropyl]-(1-methylcyclobutyl)methanol
CID 165445368
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
CID 79137820
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
CID 79138486
1-[1-(aminomethyl)cyclopentyl]-2-methylpentan-1-ol
CID 79138410
2-[1-(aminomethyl)cycloheptyl]-2-hydroxyacetaldehyde
CID 79123517
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol (CID 79138497) is 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol is CSCCC(O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol?
The InChIKey is UVWAPTAENLLBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-6-3-8(11)9(7-10)4-2-5-9/h8,11H,2-7,10H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol?
1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 79138497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).