N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C15H24N2OS — CID 43783466

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCSCc1ccc(CNC2CCN3CCCCC23)o1
InChIInChI=1S/C15H24N2OS/c1-19-11-13-6-5-12(18-13)10-16-14-7-9-17-8-3-2-4-15(14)17/h5-6,14-16H,2-4,7-11H2,1H3
InChIKeyWVJMRPVKZVSXBF-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.86
Rot. Bonds5

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43783466) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43783466
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCSCc1ccc(CNC2CCN3CCCCC23)o1
InChIInChI=1S/C15H24N2OS/c1-19-11-13-6-5-12(18-13)10-16-14-7-9-17-8-3-2-4-15(14)17/h5-6,14-16H,2-4,7-11H2,1H3
InChIKeyWVJMRPVKZVSXBF-UHFFFAOYSA-N
XLogP2.86
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine
CID 63277949
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]furan-3-carboxylic acid
CID 104608366
cyclopropyl-[4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 43791482
N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103246654
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzene-1,2,3-triol
CID 103953182
N-[(5-bromo-2-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103792591
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64772705

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43783466) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CSCc1ccc(CNC2CCN3CCCCC23)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is WVJMRPVKZVSXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-19-11-13-6-5-12(18-13)10-16-14-7-9-17-8-3-2-4-15(14)17/h5-6,14-16H,2-4,7-11H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 280.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43783466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).