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

C12H20N2OS — CID 64807637

IUPAC2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(C)(CO)CSc1ccccn1
InChIInChI=1S/C12H20N2OS/c1-10(2)14-12(3,8-15)9-16-11-6-4-5-7-13-11/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyWZWQPHBWUVPLPB-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.92
Rot. Bonds6

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

2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol (PubChem CID 64807637) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
PubChem CID64807637
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
SMILESCC(C)NC(C)(CO)CSc1ccccn1
InChIInChI=1S/C12H20N2OS/c1-10(2)14-12(3,8-15)9-16-11-6-4-5-7-13-11/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyWZWQPHBWUVPLPB-UHFFFAOYSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 64806116
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
3-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64805573
2-methyl-2-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792184
1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43166370
3-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64821726
2-methyl-4-(4-methylpyrimidin-2-yl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64808380
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64808384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol (CID 64807637) is 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol is CC(C)NC(C)(CO)CSc1ccccn1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol?
The InChIKey is WZWQPHBWUVPLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(2)14-12(3,8-15)9-16-11-6-4-5-7-13-11/h4-7,10,14-15H,8-9H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol?
2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64807637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).