2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol

C12H23NOS — CID 103595741

IUPAC2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)CC1CCCC1
InChIInChI=1S/C12H23NOS/c1-13-6-7-15-9-11(13)12(14)8-10-4-2-3-5-10/h10-12,14H,2-9H2,1H3
InChIKeyUPBRXAFLVDZHNS-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.97
Rot. Bonds3

About 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol

2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595741) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595741
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)CC1CCCC1
InChIInChI=1S/C12H23NOS/c1-13-6-7-15-9-11(13)12(14)8-10-4-2-3-5-10/h10-12,14H,2-9H2,1H3
InChIKeyUPBRXAFLVDZHNS-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
1-(4-methylthiomorpholin-3-yl)hex-5-en-1-ol
CID 103595783
1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
CID 103595653
1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol
CID 103595498
(3-methylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595782
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446318
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 103595739
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
CID 106445158

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595741) is 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol is CN1CCSCC1C(O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is UPBRXAFLVDZHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-13-6-7-15-9-11(13)12(14)8-10-4-2-3-5-10/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol?
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 229.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).