(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol

C17H22N2O2S — CID 124734755

IUPAC(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESO[C@@H](C[C@H]1COCCN1CCc1ccncc1)c1cccs1
InChIInChI=1S/C17H22N2O2S/c20-16(17-2-1-11-22-17)12-15-13-21-10-9-19(15)8-5-14-3-6-18-7-4-14/h1-4,6-7,11,15-16,20H,5,8-10,12-13H2/t15-,16-/m0/s1
InChIKeyMTIRBACQKRTCGZ-HOTGVXAUSA-N
MW318.44 g/mol
LogP2.51
Rot. Bonds6

About (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol

(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol (PubChem CID 124734755) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
PubChem CID124734755
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
SMILESO[C@@H](C[C@H]1COCCN1CCc1ccncc1)c1cccs1
InChIInChI=1S/C17H22N2O2S/c20-16(17-2-1-11-22-17)12-15-13-21-10-9-19(15)8-5-14-3-6-18-7-4-14/h1-4,6-7,11,15-16,20H,5,8-10,12-13H2/t15-,16-/m0/s1
InChIKeyMTIRBACQKRTCGZ-HOTGVXAUSA-N
XLogP2.51
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol (CID 124734755) is (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol is O[C@@H](C[C@H]1COCCN1CCc1ccncc1)c1cccs1.
What is the InChIKey of (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol?
The InChIKey is MTIRBACQKRTCGZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-16(17-2-1-11-22-17)12-15-13-21-10-9-19(15)8-5-14-3-6-18-7-4-14/h1-4,6-7,11,15-16,20H,5,8-10,12-13H2/t15-,16-/m0/s1.
What are the key properties of (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol?
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol has a molecular weight of 318.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 124734755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).