(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine

C11H19NO3S — CID 97070512

IUPAC(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccco1
InChIInChI=1S/C11H19NO3S/c1-4-16(13,14)8-9(2)12-10(3)11-6-5-7-15-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyQUEMIDGVIGJMOF-VHSXEESVSA-N
MW245.34 g/mol
LogP1.75
Rot. Bonds6

About (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine

(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine (PubChem CID 97070512) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
PubChem CID97070512
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccco1
InChIInChI=1S/C11H19NO3S/c1-4-16(13,14)8-9(2)12-10(3)11-6-5-7-15-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyQUEMIDGVIGJMOF-VHSXEESVSA-N
XLogP1.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine (CID 97070512) is (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine is CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccco1.
What is the InChIKey of (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The InChIKey is QUEMIDGVIGJMOF-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-4-16(13,14)8-9(2)12-10(3)11-6-5-7-15-11/h5-7,9-10,12H,4,8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine has a molecular weight of 245.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 97070512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).