2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol

C13H28N2OS — CID 113261880

IUPAC2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2OS/c1-11(2)15-7-5-12(6-8-15)14-9-13(3,16)10-17-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyDRQQYKLGCJTCHH-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.56
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 113261880) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
PubChem CID113261880
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2OS/c1-11(2)15-7-5-12(6-8-15)14-9-13(3,16)10-17-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyDRQQYKLGCJTCHH-UHFFFAOYSA-N
XLogP1.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]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

2-Methyl-1-methylsulfanyl-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-2-ol
CID 103784765
2-Methyl-1-methylsulfanyl-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
CID 110021921
2-Methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-2-ol
CID 56787366
2-Methyl-1-{[1-(propan-2-yl)piperidin-4-yl]amino}propan-2-ol
CID 59363487
2-Methyl-1-[methyl(piperidin-4-yl)amino]propan-2-ol
CID 60883813
2-Methyl-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60883995
2-Methyl-1-(4-methylamino-piperidin-1-yl)-propan-2-ol
CID 60885684
1-[(1-Ethylpiperidin-4-yl)amino]-2-methylpropan-2-ol
CID 65103630
1-[Ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814
2-Methyl-1-[piperidin-4-yl(propyl)amino]propan-2-ol
CID 60883815
1-[4-(Ethylamino)piperidin-1-yl]-2-methylpropan-2-ol
CID 60885685
2-Methyl-1-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 60885686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol (CID 113261880) is 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol is CSCC(C)(O)CNC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is DRQQYKLGCJTCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-11(2)15-7-5-12(6-8-15)14-9-13(3,16)10-17-4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 260.45 g/mol, XLogP of 1.56, 6 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-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 113261880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).