2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol

C13H23NO2S — CID 103859574

IUPAC2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
SMILESCSCc1ccc(CNCCCC(C)CO)o1
InChIInChI=1S/C13H23NO2S/c1-11(9-15)4-3-7-14-8-12-5-6-13(16-12)10-17-2/h5-6,11,14-15H,3-4,7-10H2,1-2H3
InChIKeyAETXJQIBLMBTOM-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.64
Rot. Bonds9

About 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol

2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol (PubChem CID 103859574) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
PubChem CID103859574
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
SMILESCSCc1ccc(CNCCCC(C)CO)o1
InChIInChI=1S/C13H23NO2S/c1-11(9-15)4-3-7-14-8-12-5-6-13(16-12)10-17-2/h5-6,11,14-15H,3-4,7-10H2,1-2H3
InChIKeyAETXJQIBLMBTOM-UHFFFAOYSA-N
XLogP2.64
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]pentan-2-ol
CID 107267638
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 43771289
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol (CID 103859574) is 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol is CSCc1ccc(CNCCCC(C)CO)o1.
What is the InChIKey of 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol?
The InChIKey is AETXJQIBLMBTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-11(9-15)4-3-7-14-8-12-5-6-13(16-12)10-17-2/h5-6,11,14-15H,3-4,7-10H2,1-2H3.
What are the key properties of 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol?
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 103859574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).