N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C14H22F2N2O2S — CID 43225141

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFC(F)SCc1ccc(CNCCCN2CCOCC2)o1
InChIInChI=1S/C14H22F2N2O2S/c15-14(16)21-11-13-3-2-12(20-13)10-17-4-1-5-18-6-8-19-9-7-18/h2-3,14,17H,1,4-11H2
InChIKeyLUQAKAAKJWYPRO-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.55
Rot. Bonds9

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43225141) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43225141
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.40 g/mol
Exact Mass320.14
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFC(F)SCc1ccc(CNCCCN2CCOCC2)o1
InChIInChI=1S/C14H22F2N2O2S/c15-14(16)21-11-13-3-2-12(20-13)10-17-4-1-5-18-6-8-19-9-7-18/h2-3,14,17H,1,4-11H2
InChIKeyLUQAKAAKJWYPRO-UHFFFAOYSA-N
XLogP2.55
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 43225141) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is FC(F)SCc1ccc(CNCCCN2CCOCC2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is LUQAKAAKJWYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c15-14(16)21-11-13-3-2-12(20-13)10-17-4-1-5-18-6-8-19-9-7-18/h2-3,14,17H,1,4-11H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 320.40 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43225141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).