1-(2,2-diethylmorpholin-4-yl)propane-2-thiol

C11H23NOS — CID 91174628

IUPAC1-(2,2-diethylmorpholin-4-yl)propane-2-thiol
SMILESCCC1(CC)CN(CC(C)S)CCO1
InChIInChI=1S/C11H23NOS/c1-4-11(5-2)9-12(6-7-13-11)8-10(3)14/h10,14H,4-9H2,1-3H3
InChIKeyCUCQYHNLBBFMTG-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.20
Rot. Bonds4

About 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol

1-(2,2-diethylmorpholin-4-yl)propane-2-thiol (PubChem CID 91174628) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol.

Molecular Properties

Compound Name1-(2,2-diethylmorpholin-4-yl)propane-2-thiol
PubChem CID91174628
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-(2,2-diethylmorpholin-4-yl)propane-2-thiol
SMILESCCC1(CC)CN(CC(C)S)CCO1
InChIInChI=1S/C11H23NOS/c1-4-11(5-2)9-12(6-7-13-11)8-10(3)14/h10,14H,4-9H2,1-3H3
InChIKeyCUCQYHNLBBFMTG-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2,2-diethylmorpholin-4-yl)propane-2-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

5-(Morpholin-4-yl)pentane-1-thiol
CID 17766566
4-(Morpholin-4-yl)butane-1-thiol
CID 17766767
2-(2-Piperidin-1-ylethoxy)ethanethiol
CID 18711083
2,6-Dimethyl-4-(2'-mercaptoethyl)-morpholine
CID 19607262
4-Butyl-2,2-diethylmorpholine
CID 20501268
2,2-Diethyl-4-(2-methylpropyl)morpholine
CID 59603445
2,2,4-Triethylmorpholine
CID 69087843
4-(2-Ethylbutyl)-2,2-dimethylmorpholine
CID 70644617
2-Methyl-3-morpholin-4-ylpropane-1-thiol
CID 80017568
3-Methyl-5-morpholin-4-ylpentane-1-thiol
CID 80017787
[1-[(2-Methylmorpholin-4-yl)methyl]cyclopropyl]methanethiol
CID 80018784
2,2-Diethyl-4-propylmorpholine
CID 90928577

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol?
The IUPAC name of 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol (CID 91174628) is 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol.
What is the SMILES notation for 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol?
The canonical SMILES for 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol is CCC1(CC)CN(CC(C)S)CCO1.
What is the InChIKey of 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol?
The InChIKey is CUCQYHNLBBFMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-11(5-2)9-12(6-7-13-11)8-10(3)14/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol?
1-(2,2-diethylmorpholin-4-yl)propane-2-thiol has a molecular weight of 217.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethylmorpholin-4-yl)propane-2-thiol is sourced from PubChem (CID 91174628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).