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

C11H17NO3S — CID 115866039

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC/C=C/c1ccco1
InChIInChI=1S/C11H17NO3S/c1-10(9-16(2,13)14)12-7-3-5-11-6-4-8-15-11/h3-6,8,10,12H,7,9H2,1-2H3/b5-3+
InChIKeyBPCAMYJYNKWPJI-HWKANZROSA-N
MW243.33 g/mol
LogP1.32
Rot. Bonds6

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

N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine (PubChem CID 115866039) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine
PubChem CID115866039
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC/C=C/c1ccco1
InChIInChI=1S/C11H17NO3S/c1-10(9-16(2,13)14)12-7-3-5-11-6-4-8-15-11/h3-6,8,10,12H,7,9H2,1-2H3/b5-3+
InChIKeyBPCAMYJYNKWPJI-HWKANZROSA-N
XLogP1.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
CID 115866050
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methoxy-3-methylbutan-2-amine
CID 115866073
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
2-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-4-methylsulfanylbutan-1-ol
CID 115866123
2-cyclopropyl-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115865979
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine (CID 115866039) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NC/C=C/c1ccco1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is BPCAMYJYNKWPJI-HWKANZROSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10(9-16(2,13)14)12-7-3-5-11-6-4-8-15-11/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-methylsulfonylpropan-2-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 115866039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).