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

C15H25N3OS — CID 103784825

IUPAC2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H25N3OS/c1-15(19,12-20-2)11-17-13-6-9-18(10-7-13)14-5-3-4-8-16-14/h3-5,8,13,17,19H,6-7,9-12H2,1-2H3
InChIKeyFIFAUQCTSSNXGQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.75
Rot. Bonds6

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

2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103784825) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103784825
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H25N3OS/c1-15(19,12-20-2)11-17-13-6-9-18(10-7-13)14-5-3-4-8-16-14/h3-5,8,13,17,19H,6-7,9-12H2,1-2H3
InChIKeyFIFAUQCTSSNXGQ-UHFFFAOYSA-N
XLogP1.75
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
CID 106675135
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103787981
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115706396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol (CID 103784825) is 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol is CSCC(C)(O)CNC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is FIFAUQCTSSNXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(19,12-20-2)11-17-13-6-9-18(10-7-13)14-5-3-4-8-16-14/h3-5,8,13,17,19H,6-7,9-12H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 295.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103784825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).