2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol

C10H16N2OS — CID 103820180

IUPAC2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNc1ccncc1
InChIInChI=1S/C10H16N2OS/c1-10(13,8-14-2)7-12-9-3-5-11-6-4-9/h3-6,13H,7-8H2,1-2H3,(H,11,12)
InChIKeyVRCVPQGHDPSHIY-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.61
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol (PubChem CID 103820180) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
PubChem CID103820180
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNc1ccncc1
InChIInChI=1S/C10H16N2OS/c1-10(13,8-14-2)7-12-9-3-5-11-6-4-9/h3-6,13H,7-8H2,1-2H3,(H,11,12)
InChIKeyVRCVPQGHDPSHIY-UHFFFAOYSA-N
XLogP1.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-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

1-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]phenyl]ethanone
CID 106248210
1-[(5-aminoisoquinolin-8-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243983
3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 113257057
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1H-pyridazin-6-one
CID 106249129
1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246053
2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
CID 103731198
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 90523077
1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75511398
2-methyl-1-methylsulfanyl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 111437059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol (CID 103820180) is 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol is CSCC(C)(O)CNc1ccncc1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol?
The InChIKey is VRCVPQGHDPSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(13,8-14-2)7-12-9-3-5-11-6-4-9/h3-6,13H,7-8H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol has a molecular weight of 212.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol is sourced from PubChem (CID 103820180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).