3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol

C14H24N2OS — CID 107772150

IUPAC3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
SMILESCC(C)CNCc1ccc(SC(C)C(C)O)nc1
InChIInChI=1S/C14H24N2OS/c1-10(2)7-15-8-13-5-6-14(16-9-13)18-12(4)11(3)17/h5-6,9-12,15,17H,7-8H2,1-4H3
InChIKeyQELOXWJAOMNZBN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.69
Rot. Bonds7

About 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol

3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol (PubChem CID 107772150) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
PubChem CID107772150
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
SMILESCC(C)CNCc1ccc(SC(C)C(C)O)nc1
InChIInChI=1S/C14H24N2OS/c1-10(2)7-15-8-13-5-6-14(16-9-13)18-12(4)11(3)17/h5-6,9-12,15,17H,7-8H2,1-4H3
InChIKeyQELOXWJAOMNZBN-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
2-methyl-N-[(6-thiophen-2-ylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80640378
[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
CID 107762118
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102915345
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol (CID 107772150) is 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol is CC(C)CNCc1ccc(SC(C)C(C)O)nc1.
What is the InChIKey of 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol?
The InChIKey is QELOXWJAOMNZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)7-15-8-13-5-6-14(16-9-13)18-12(4)11(3)17/h5-6,9-12,15,17H,7-8H2,1-4H3.
What are the key properties of 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol?
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol has a molecular weight of 268.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107772150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).