3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol

C14H23NO2S — CID 79065174

IUPAC3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccsc1)N1CCOCC1
InChIInChI=1S/C14H23NO2S/c1-3-14(2,15-5-7-17-8-6-15)13(16)10-12-4-9-18-11-12/h4,9,11,13,16H,3,5-8,10H2,1-2H3
InChIKeyKJNDNWYFVSUOTN-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.15
Rot. Bonds5

About 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol

3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol (PubChem CID 79065174) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol
PubChem CID79065174
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol
SMILESCCC(C)(C(O)Cc1ccsc1)N1CCOCC1
InChIInChI=1S/C14H23NO2S/c1-3-14(2,15-5-7-17-8-6-15)13(16)10-12-4-9-18-11-12/h4,9,11,13,16H,3,5-8,10H2,1-2H3
InChIKeyKJNDNWYFVSUOTN-UHFFFAOYSA-N
XLogP2.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 104800320
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-ol
CID 107308193
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060075
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620
N,4-dimethyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-amine
CID 79051611
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
CID 63083411
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064990
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol?
The IUPAC name of 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol (CID 79065174) is 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol.
What is the SMILES notation for 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol?
The canonical SMILES for 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol is CCC(C)(C(O)Cc1ccsc1)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol?
The InChIKey is KJNDNWYFVSUOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-14(2,15-5-7-17-8-6-15)13(16)10-12-4-9-18-11-12/h4,9,11,13,16H,3,5-8,10H2,1-2H3.
What are the key properties of 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol?
3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-yl-1-thiophen-3-ylpentan-2-ol is sourced from PubChem (CID 79065174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).