(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol

C13H21NO2S — CID 79988126

IUPAC(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCc1ccsc1C(O)C1CN(C(C)C)CCO1
InChIInChI=1S/C13H21NO2S/c1-9(2)14-5-6-16-11(8-14)12(15)13-10(3)4-7-17-13/h4,7,9,11-12,15H,5-6,8H2,1-3H3
InChIKeyWHHSCHKWGJINBC-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.20
Rot. Bonds3

About (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol

(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol (PubChem CID 79988126) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
PubChem CID79988126
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCc1ccsc1C(O)C1CN(C(C)C)CCO1
InChIInChI=1S/C13H21NO2S/c1-9(2)14-5-6-16-11(8-14)12(15)13-10(3)4-7-17-13/h4,7,9,11-12,15H,5-6,8H2,1-3H3
InChIKeyWHHSCHKWGJINBC-UHFFFAOYSA-N
XLogP2.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 107512959
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
[(3-chlorothiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 107362112
1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79663304
(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 114272649
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102831436
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 106762104
(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanol
CID 79665158
2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
CID 55006634
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
2-(3,4-dimethylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663107

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol (CID 79988126) is (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol is Cc1ccsc1C(O)C1CN(C(C)C)CCO1.
What is the InChIKey of (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The InChIKey is WHHSCHKWGJINBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9(2)14-5-6-16-11(8-14)12(15)13-10(3)4-7-17-13/h4,7,9,11-12,15H,5-6,8H2,1-3H3.
What are the key properties of (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol has a molecular weight of 255.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol is sourced from PubChem (CID 79988126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).