(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol

C12H18N2OS — CID 103938335

IUPAC(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(N2CCSCC2)cn1
InChIInChI=1S/C12H18N2OS/c1-2-12(15)11-4-3-10(9-13-11)14-5-7-16-8-6-14/h3-4,9,12,15H,2,5-8H2,1H3/t12-/m0/s1
InChIKeySSKPVLXISXYYMY-LBPRGKRZSA-N
MW238.36 g/mol
LogP2.08
Rot. Bonds3

About (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol

(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol (PubChem CID 103938335) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
PubChem CID103938335
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(N2CCSCC2)cn1
InChIInChI=1S/C12H18N2OS/c1-2-12(15)11-4-3-10(9-13-11)14-5-7-16-8-6-14/h3-4,9,12,15H,2,5-8H2,1H3/t12-/m0/s1
InChIKeySSKPVLXISXYYMY-LBPRGKRZSA-N
XLogP2.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
CID 112585414
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol
CID 103938701
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-4-carboxamide
CID 103938495

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol?
The IUPAC name of (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol (CID 103938335) is (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol?
The canonical SMILES for (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol is CC[C@H](O)c1ccc(N2CCSCC2)cn1.
What is the InChIKey of (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol?
The InChIKey is SSKPVLXISXYYMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-12(15)11-4-3-10(9-13-11)14-5-7-16-8-6-14/h3-4,9,12,15H,2,5-8H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol?
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol has a molecular weight of 238.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 103938335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).