2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol

C12H21NO2S — CID 64819027

IUPAC2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCSCc1ccco1
InChIInChI=1S/C12H21NO2S/c1-12(13,10-14)6-2-3-8-16-9-11-5-4-7-15-11/h4-5,7,14H,2-3,6,8-10,13H2,1H3
InChIKeySXOGIWPWFCPOQC-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.39
Rot. Bonds8

About 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol

2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol (PubChem CID 64819027) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol
PubChem CID64819027
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCSCc1ccco1
InChIInChI=1S/C12H21NO2S/c1-12(13,10-14)6-2-3-8-16-9-11-5-4-7-15-11/h4-5,7,14H,2-3,6,8-10,13H2,1H3
InChIKeySXOGIWPWFCPOQC-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol (CID 64819027) is 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol is CC(N)(CO)CCCCSCc1ccco1.
What is the InChIKey of 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol?
The InChIKey is SXOGIWPWFCPOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(13,10-14)6-2-3-8-16-9-11-5-4-7-15-11/h4-5,7,14H,2-3,6,8-10,13H2,1H3.
What are the key properties of 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol?
2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol has a molecular weight of 243.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-ylmethylsulfanyl)-2-methylhexan-1-ol is sourced from PubChem (CID 64819027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).