2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol

C16H32N2OS — CID 106245965

IUPAC2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C16H32N2OS/c1-12(2)18-8-13-6-5-7-14(9-18)15(13)17-10-16(3,19)11-20-4/h12-15,17,19H,5-11H2,1-4H3
InChIKeyMGJCSZCDDUEKAU-UHFFFAOYSA-N
MW300.51 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol (PubChem CID 106245965) has the molecular formula C16H32N2OS and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol
PubChem CID106245965
Molecular FormulaC16H32N2OS
Molecular Weight300.51 g/mol
Exact Mass300.22
IUPAC Name2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C16H32N2OS/c1-12(2)18-8-13-6-5-7-14(9-18)15(13)17-10-16(3,19)11-20-4/h12-15,17,19H,5-11H2,1-4H3
InChIKeyMGJCSZCDDUEKAU-UHFFFAOYSA-N
XLogP2.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-methylsulfanyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 113261880
2,2-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 106275148
5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pentan-1-ol
CID 107316719
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106247252
2-methyl-1-methylsulfanyl-3-[(4-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103699659
trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106246971
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
3-[[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]methyl]cyclohexan-1-ol
CID 106123834
1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246114
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
CID 106245683

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol (CID 106245965) is 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol is CSCC(C)(O)CNC1C2CCCC1CN(C(C)C)C2.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol?
The InChIKey is MGJCSZCDDUEKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2OS/c1-12(2)18-8-13-6-5-7-14(9-18)15(13)17-10-16(3,19)11-20-4/h12-15,17,19H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol has a molecular weight of 300.51 g/mol, XLogP of 2.20, 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-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propan-2-ol is sourced from PubChem (CID 106245965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).