N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine

C11H17NOS — CID 103766021

IUPACN-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
SMILESCCc1ccc(CNC2CCSC2)o1
InChIInChI=1S/C11H17NOS/c1-2-10-3-4-11(13-10)7-12-9-5-6-14-8-9/h3-4,9,12H,2,5-8H2,1H3
InChIKeyVRQBIPSDQBNNJR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds4

About N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine

N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine (PubChem CID 103766021) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
PubChem CID103766021
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
SMILESCCc1ccc(CNC2CCSC2)o1
InChIInChI=1S/C11H17NOS/c1-2-10-3-4-11(13-10)7-12-9-5-6-14-8-9/h3-4,9,12H,2,5-8H2,1H3
InChIKeyVRQBIPSDQBNNJR-UHFFFAOYSA-N
XLogP2.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
methyl 5-[(thian-3-ylamino)methyl]furan-2-carboxylate
CID 115882141
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
N-[(5-ethylfuran-2-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 75513016
N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396351
N-[(5-ethylfuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358487
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 62421855
N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 63278186
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine (CID 103766021) is N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine is CCc1ccc(CNC2CCSC2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine?
The InChIKey is VRQBIPSDQBNNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-10-3-4-11(13-10)7-12-9-5-6-14-8-9/h3-4,9,12H,2,5-8H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine?
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 103766021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).