N-[2-(furan-2-yl)ethyl]thian-3-amine

C11H17NOS — CID 62873615

IUPACN-[2-(furan-2-yl)ethyl]thian-3-amine
SMILESc1coc(CCNC2CCCSC2)c1
InChIInChI=1S/C11H17NOS/c1-4-11(13-7-1)5-6-12-10-3-2-8-14-9-10/h1,4,7,10,12H,2-3,5-6,8-9H2
InChIKeyINQHOKKFJCDMFI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]thian-3-amine

N-[2-(furan-2-yl)ethyl]thian-3-amine (PubChem CID 62873615) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]thian-3-amine
PubChem CID62873615
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-[2-(furan-2-yl)ethyl]thian-3-amine
SMILESc1coc(CCNC2CCCSC2)c1
InChIInChI=1S/C11H17NOS/c1-4-11(13-7-1)5-6-12-10-3-2-8-14-9-10/h1,4,7,10,12H,2-3,5-6,8-9H2
InChIKeyINQHOKKFJCDMFI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine
CID 110056760
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol
CID 99717414
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056729
N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
CID 115882068
3-N-[2-(furan-2-yl)ethyl]cyclopentane-1,3-diamine
CID 79462115
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056783
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
N-[2-(furan-2-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 43395503
N-(2-pyridin-3-ylethyl)thian-3-amine
CID 62871449

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]thian-3-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]thian-3-amine (CID 62873615) is N-[2-(furan-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]thian-3-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]thian-3-amine is c1coc(CCNC2CCCSC2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]thian-3-amine?
The InChIKey is INQHOKKFJCDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-11(13-7-1)5-6-12-10-3-2-8-14-9-10/h1,4,7,10,12H,2-3,5-6,8-9H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]thian-3-amine?
N-[2-(furan-2-yl)ethyl]thian-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 62873615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).