(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol

C11H19N3OS — CID 103595608

IUPAC(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCCn1ccnc1C(O)C1CSCCN1C
InChIInChI=1S/C11H19N3OS/c1-3-14-5-4-12-11(14)10(15)9-8-16-7-6-13(9)2/h4-5,9-10,15H,3,6-8H2,1-2H3
InChIKeyDGVZNTNGHRDOJD-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.98
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol

(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595608) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595608
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCCn1ccnc1C(O)C1CSCCN1C
InChIInChI=1S/C11H19N3OS/c1-3-14-5-4-12-11(14)10(15)9-8-16-7-6-13(9)2/h4-5,9-10,15H,3,6-8H2,1-2H3
InChIKeyDGVZNTNGHRDOJD-UHFFFAOYSA-N
XLogP0.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
(2-ethylpyrazol-3-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595649
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
1,4-diazabicyclo[2.2.2]octan-2-yl-(1-ethylimidazol-2-yl)methanol
CID 79969029
(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622339
[2-(1-methylimidazol-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446326
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 103595739
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595608) is (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol is CCn1ccnc1C(O)C1CSCCN1C.
What is the InChIKey of (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is DGVZNTNGHRDOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-14-5-4-12-11(14)10(15)9-8-16-7-6-13(9)2/h4-5,9-10,15H,3,6-8H2,1-2H3.
What are the key properties of (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol?
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 241.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).