3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol

C11H23NOS — CID 170584632

IUPAC3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol
SMILESCCN(CCCOCCCS)C1CC1
InChIInChI=1S/C11H23NOS/c1-2-12(11-5-6-11)7-3-8-13-9-4-10-14/h11,14H,2-10H2,1H3
InChIKeyZRWUXAVFMGKJCS-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.20
Rot. Bonds9

About 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol

3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol (PubChem CID 170584632) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol.

Molecular Properties

Compound Name3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol
PubChem CID170584632
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol
SMILESCCN(CCCOCCCS)C1CC1
InChIInChI=1S/C11H23NOS/c1-2-12(11-5-6-11)7-3-8-13-9-4-10-14/h11,14H,2-10H2,1H3
InChIKeyZRWUXAVFMGKJCS-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol 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

(1S)-1-[3-[cyclobutyl(methyl)amino]propoxy]ethanethiol
CID 146554986
3-(Diethylamino)-3-ethoxypropane-1-thiol
CID 151125635
3-[3-[Ethyl(methyl)amino]propoxy]propane-1-thiol
CID 155402170
N-methyl-3-(3-methylsulfanylpropoxy)-N-propan-2-ylpropan-1-amine
CID 155404977
2-[3-Methoxypropyl(methyl)amino]butanethial
CID 164922340
2-[3-But-2-ynoxypropyl(methyl)amino]ethanethiol
CID 166678803
3-[3-[Methyl(2-methylpropyl)amino]propoxy]propane-1-thiol
CID 169214839
2-[Cyclopropyl(2-methoxyethyl)amino]ethanethiol
CID 80019034
2-[2-[Cyclopropyl(2-methoxyethyl)amino]ethoxy]ethanethiol
CID 80019526
2-[2-[Butyl(cyclopropyl)amino]ethoxy]ethanethiol
CID 80020464
4-[Cyclopropyl(2-methoxyethyl)amino]butane-1-thiol
CID 80020623
3-[Cyclopropyl(2-methoxyethyl)amino]propane-1-thiol
CID 80020747

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol?
The IUPAC name of 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol (CID 170584632) is 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol.
What is the SMILES notation for 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol?
The canonical SMILES for 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol is CCN(CCCOCCCS)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol?
The InChIKey is ZRWUXAVFMGKJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-12(11-5-6-11)7-3-8-13-9-4-10-14/h11,14H,2-10H2,1H3.
What are the key properties of 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol?
3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol has a molecular weight of 217.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(ethyl)amino]propoxy]propane-1-thiol is sourced from PubChem (CID 170584632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).