N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine

C11H17NOS — CID 130617925

IUPACN-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
SMILESCC(NC1CSC1(C)C)c1ccco1
InChIInChI=1S/C11H17NOS/c1-8(9-5-4-6-13-9)12-10-7-14-11(10,2)3/h4-6,8,10,12H,7H2,1-3H3
InChIKeyRRHBKZQTMYGBBW-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.82
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine

N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine (PubChem CID 130617925) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
PubChem CID130617925
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
SMILESCC(NC1CSC1(C)C)c1ccco1
InChIInChI=1S/C11H17NOS/c1-8(9-5-4-6-13-9)12-10-7-14-11(10,2)3/h4-6,8,10,12H,7H2,1-3H3
InChIKeyRRHBKZQTMYGBBW-UHFFFAOYSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]thiolan-3-amine
CID 43400292
3-ethoxy-N-[1-(furan-2-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 64853268
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
CID 81402631
N-[(1S)-1-(furan-2-yl)ethyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244589
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[(1R)-1-(furan-2-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 81403333
N-[1-(furan-2-yl)ethyl]spiro[4.5]decan-8-amine
CID 114817252
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81391467
trans-(1S,2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]cyclopentan-1-ol
CID 102733843
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine (CID 130617925) is N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine is CC(NC1CSC1(C)C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine?
The InChIKey is RRHBKZQTMYGBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(9-5-4-6-13-9)12-10-7-14-11(10,2)3/h4-6,8,10,12H,7H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine?
N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine is sourced from PubChem (CID 130617925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).