1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine

C13H21NO3S — CID 75441574

IUPAC1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine
SMILESCc1ccc(C(C)NCC2(CS(C)(=O)=O)CC2)o1
InChIInChI=1S/C13H21NO3S/c1-10-4-5-12(17-10)11(2)14-8-13(6-7-13)9-18(3,15)16/h4-5,11,14H,6-9H2,1-3H3
InChIKeyJHEGJQGNKWMRAC-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.06
Rot. Bonds6

About 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine (PubChem CID 75441574) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine
PubChem CID75441574
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine
SMILESCc1ccc(C(C)NCC2(CS(C)(=O)=O)CC2)o1
InChIInChI=1S/C13H21NO3S/c1-10-4-5-12(17-10)11(2)14-8-13(6-7-13)9-18(3,15)16/h4-5,11,14H,6-9H2,1-3H3
InChIKeyJHEGJQGNKWMRAC-UHFFFAOYSA-N
XLogP2.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
CID 75504665
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
3-methoxy-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]butan-2-amine
CID 115892583
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]but-3-en-1-amine
CID 114449148
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine (CID 75441574) is 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine is Cc1ccc(C(C)NCC2(CS(C)(=O)=O)CC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is JHEGJQGNKWMRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10-4-5-12(17-10)11(2)14-8-13(6-7-13)9-18(3,15)16/h4-5,11,14H,6-9H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 75441574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).