N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine

C13H21NOS — CID 105177672

IUPACN-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1CCSC1
InChIInChI=1S/C13H21NOS/c1-2-5-14-13(12-4-7-16-10-12)8-11-3-6-15-9-11/h3,6,9,12-14H,2,4-5,7-8,10H2,1H3
InChIKeyLRSMTTMOIJHKMD-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine

N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine (PubChem CID 105177672) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
PubChem CID105177672
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)C1CCSC1
InChIInChI=1S/C13H21NOS/c1-2-5-14-13(12-4-7-16-10-12)8-11-3-6-15-9-11/h3,6,9,12-14H,2,4-5,7-8,10H2,1H3
InChIKeyLRSMTTMOIJHKMD-UHFFFAOYSA-N
XLogP2.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105331907
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[2-(furan-3-yl)-1-(1,4-oxathian-2-yl)ethyl]propan-1-amine
CID 83182561
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
N-[1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 103346410
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 107312279
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
N-ethyl-1-(3-ethylcyclopentyl)-2-(furan-3-yl)ethanamine
CID 83175352
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651
N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine (CID 105177672) is N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)C1CCSC1.
What is the InChIKey of N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The InChIKey is LRSMTTMOIJHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-5-14-13(12-4-7-16-10-12)8-11-3-6-15-9-11/h3,6,9,12-14H,2,4-5,7-8,10H2,1H3.
What are the key properties of N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105177672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).