N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine

C10H17NO3S — CID 64630530

IUPACN-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(C)c1ccco1
InChIInChI=1S/C10H17NO3S/c1-8(7-15(3,12)13)11-9(2)10-5-4-6-14-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyBQMRFHJRCCGNLT-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.36
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine

N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64630530) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID64630530
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(C)c1ccco1
InChIInChI=1S/C10H17NO3S/c1-8(7-15(3,12)13)11-9(2)10-5-4-6-14-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyBQMRFHJRCCGNLT-UHFFFAOYSA-N
XLogP1.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
(1S,2S)-1-(furan-2-yl)-N,2-dimethyl-3-methylsulfonylpropan-1-amine
CID 90141020
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
2-(furan-2-yl)-3-methylsulfonylpropan-1-amine
CID 102567549
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
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
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine (CID 64630530) is N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is BQMRFHJRCCGNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-8(7-15(3,12)13)11-9(2)10-5-4-6-14-10/h4-6,8-9,11H,7H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 231.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64630530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).