3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol

C12H25NOS — CID 115927904

IUPAC3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
SMILESCCC1CN(CC(O)(CC)CC)CCS1
InChIInChI=1S/C12H25NOS/c1-4-11-9-13(7-8-15-11)10-12(14,5-2)6-3/h11,14H,4-10H2,1-3H3
InChIKeyGUYVPXKUZRHYRC-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.36
Rot. Bonds5

About 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol

3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol (PubChem CID 115927904) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
PubChem CID115927904
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
SMILESCCC1CN(CC(O)(CC)CC)CCS1
InChIInChI=1S/C12H25NOS/c1-4-11-9-13(7-8-15-11)10-12(14,5-2)6-3/h11,14H,4-10H2,1-3H3
InChIKeyGUYVPXKUZRHYRC-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
CID 106932899
4-butyl-2-ethylthiomorpholine
CID 13356762
6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
CID 103738012
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
CID 104874659
4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
CID 104696561
9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
CID 105344286
1-(2-ethyl-2-hydroxybutyl)piperidin-3-ol
CID 115919280
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)pentan-3-ol
CID 115919450
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
CID 113246314
2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
CID 75504321
2-ethyl-4-[(4-iodophenyl)methyl]thiomorpholine
CID 115666613

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol?
The IUPAC name of 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol (CID 115927904) is 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol is CCC1CN(CC(O)(CC)CC)CCS1.
What is the InChIKey of 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol?
The InChIKey is GUYVPXKUZRHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-11-9-13(7-8-15-11)10-12(14,5-2)6-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol?
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol has a molecular weight of 231.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol is sourced from PubChem (CID 115927904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).