1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol

C11H18N2OS — CID 43166370

IUPAC1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCC(C)NCC(O)CSc1ccccn1
InChIInChI=1S/C11H18N2OS/c1-9(2)13-7-10(14)8-15-11-5-3-4-6-12-11/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyPGBFFICLLHTEAI-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.53
Rot. Bonds6

About 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol

1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 43166370) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID43166370
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCC(C)NCC(O)CSc1ccccn1
InChIInChI=1S/C11H18N2OS/c1-9(2)13-7-10(14)8-15-11-5-3-4-6-12-11/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyPGBFFICLLHTEAI-UHFFFAOYSA-N
XLogP1.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
1-(1H-benzimidazol-2-ylsulfanyl)-3-(propan-2-ylamino)propan-2-ol
CID 43166360
(2S)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108845
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108844
(2R,3R)-4-pyridin-2-ylsulfanylbutane-1,2,3-triol
CID 69497472
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
1-(propan-2-ylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 62851233
1-(3-methylphenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 61243797
1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842276

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol (CID 43166370) is 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol is CC(C)NCC(O)CSc1ccccn1.
What is the InChIKey of 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is PGBFFICLLHTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(2)13-7-10(14)8-15-11-5-3-4-6-12-11/h3-6,9-10,13-14H,7-8H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol?
1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 43166370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).