3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine

C12H21NO3S — CID 65092779

IUPAC3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNC(C)c1ccc(C)o1
InChIInChI=1S/C12H21NO3S/c1-4-17(14,15)9-5-8-13-11(3)12-7-6-10(2)16-12/h6-7,11,13H,4-5,8-9H2,1-3H3
InChIKeyQUZPADRDWUJKLQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.06
Rot. Bonds7

About 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine

3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 65092779) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID65092779
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCS(=O)(=O)CCCNC(C)c1ccc(C)o1
InChIInChI=1S/C12H21NO3S/c1-4-17(14,15)9-5-8-13-11(3)12-7-6-10(2)16-12/h6-7,11,13H,4-5,8-9H2,1-3H3
InChIKeyQUZPADRDWUJKLQ-UHFFFAOYSA-N
XLogP2.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
CID 75504665
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
3-ethylsulfonyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 65093199
N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663
3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 81093076
N-[1-(5-methylfuran-2-yl)ethyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43205640
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine (CID 65092779) is 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is CCS(=O)(=O)CCCNC(C)c1ccc(C)o1.
What is the InChIKey of 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is QUZPADRDWUJKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-4-17(14,15)9-5-8-13-11(3)12-7-6-10(2)16-12/h6-7,11,13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine?
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 259.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65092779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).