N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine

C15H26N2O2S — CID 46988849

IUPACN-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCSCCCN(CCN1CCOCC1)Cc1ccco1
InChIInChI=1S/C15H26N2O2S/c1-20-13-3-5-17(14-15-4-2-10-19-15)7-6-16-8-11-18-12-9-16/h2,4,10H,3,5-9,11-14H2,1H3
InChIKeyNVYJTUPXCQCVLZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.17
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine

N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine (PubChem CID 46988849) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
PubChem CID46988849
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESCSCCCN(CCN1CCOCC1)Cc1ccco1
InChIInChI=1S/C15H26N2O2S/c1-20-13-3-5-17(14-15-4-2-10-19-15)7-6-16-8-11-18-12-9-16/h2,4,10H,3,5-9,11-14H2,1H3
InChIKeyNVYJTUPXCQCVLZ-UHFFFAOYSA-N
XLogP2.17
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
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-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine (CID 46988849) is N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine is CSCCCN(CCN1CCOCC1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine?
The InChIKey is NVYJTUPXCQCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-20-13-3-5-17(14-15-4-2-10-19-15)7-6-16-8-11-18-12-9-16/h2,4,10H,3,5-9,11-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine?
N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 46988849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).