(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol

C13H20N2OS — CID 113355290

IUPAC(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)C2CCSC2)cn1
InChIInChI=1S/C13H20N2OS/c1-3-13(16)12-5-4-10(8-14-12)15(2)11-6-7-17-9-11/h4-5,8,11,13,16H,3,6-7,9H2,1-2H3/t11?,13-/m0/s1
InChIKeyNGQQIDOPQLNAHA-YUZLPWPTSA-N
MW252.38 g/mol
LogP2.47
Rot. Bonds4

About (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 113355290) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
PubChem CID113355290
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(C)C2CCSC2)cn1
InChIInChI=1S/C13H20N2OS/c1-3-13(16)12-5-4-10(8-14-12)15(2)11-6-7-17-9-11/h4-5,8,11,13,16H,3,6-7,9H2,1-2H3/t11?,13-/m0/s1
InChIKeyNGQQIDOPQLNAHA-YUZLPWPTSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 112585300
6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 83122062
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348
(1S)-1-[5-[cyclopropyl(2-hydroxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938569
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938697
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
(1R)-1-[5-[cyclopropylmethyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355380

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol (CID 113355290) is (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(C)C2CCSC2)cn1.
What is the InChIKey of (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is NGQQIDOPQLNAHA-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-13(16)12-5-4-10(8-14-12)15(2)11-6-7-17-9-11/h4-5,8,11,13,16H,3,6-7,9H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 252.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).