N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine

C11H17NOS — CID 115866050

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC/C=C/c1ccco1
InChIInChI=1S/C11H17NOS/c1-10(9-14-2)12-7-3-5-11-6-4-8-13-11/h3-6,8,10,12H,7,9H2,1-2H3/b5-3+
InChIKeyKSEMNICLTOWACU-HWKANZROSA-N
MW211.33 g/mol
LogP2.63
Rot. Bonds6

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115866050) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
PubChem CID115866050
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NC/C=C/c1ccco1
InChIInChI=1S/C11H17NOS/c1-10(9-14-2)12-7-3-5-11-6-4-8-13-11/h3-6,8,10,12H,7,9H2,1-2H3/b5-3+
InChIKeyKSEMNICLTOWACU-HWKANZROSA-N
XLogP2.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine (CID 115866050) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NC/C=C/c1ccco1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is KSEMNICLTOWACU-HWKANZROSA-N. The full InChI is InChI=1S/C11H17NOS/c1-10(9-14-2)12-7-3-5-11-6-4-8-13-11/h3-6,8,10,12H,7,9H2,1-2H3/b5-3+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115866050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).