2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol

C15H29NO2S — CID 106247069

IUPAC2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO2S/c1-14(17,12-19-2)11-16-13-6-9-18-15(10-13)7-4-3-5-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyPXFWSNLMORGGMA-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.57
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol (PubChem CID 106247069) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
PubChem CID106247069
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H29NO2S/c1-14(17,12-19-2)11-16-13-6-9-18-15(10-13)7-4-3-5-8-15/h13,16-17H,3-12H2,1-2H3
InChIKeyPXFWSNLMORGGMA-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol with MolForge

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Related Compounds

4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
CID 106245683
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903596
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
CID 106291931
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
CID 106247131
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
N-(3-methylpentan-3-yl)-6-oxaspiro[4.5]decan-9-amine
CID 106328755

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol (CID 106247069) is 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol is CSCC(C)(O)CNC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol?
The InChIKey is PXFWSNLMORGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-14(17,12-19-2)11-16-13-6-9-18-15(10-13)7-4-3-5-8-15/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol has a molecular weight of 287.47 g/mol, XLogP of 2.57, 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-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol is sourced from PubChem (CID 106247069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).