2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol

C13H22N2OS — CID 64806184

IUPAC2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1ccccn1
InChIInChI=1S/C13H22N2OS/c1-4-15-13(3,10-16)9-11(2)17-12-7-5-6-8-14-12/h5-8,11,15-16H,4,9-10H2,1-3H3
InChIKeyJNVCPXKTKPOVMP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.31
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol

2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol (PubChem CID 64806184) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
PubChem CID64806184
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1ccccn1
InChIInChI=1S/C13H22N2OS/c1-4-15-13(3,10-16)9-11(2)17-12-7-5-6-8-14-12/h5-8,11,15-16H,4,9-10H2,1-3H3
InChIKeyJNVCPXKTKPOVMP-UHFFFAOYSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64821326
2-methyl-2-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-1-ol
CID 64807637
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64820392
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 115384279
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807876
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792181

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol (CID 64806184) is 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol is CCNC(C)(CO)CC(C)Sc1ccccn1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
The InChIKey is JNVCPXKTKPOVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-15-13(3,10-16)9-11(2)17-12-7-5-6-8-14-12/h5-8,11,15-16H,4,9-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol?
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 64806184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).