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

C12H19NOS — CID 80627639

IUPACN-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1CCCS1
InChIInChI=1S/C12H19NOS/c1-2-6-13-12(10-5-7-14-9-10)11-4-3-8-15-11/h5,7,9,11-13H,2-4,6,8H2,1H3
InChIKeyKDYAJJCSLUFPGN-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.22
Rot. Bonds5

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

N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine (PubChem CID 80627639) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
PubChem CID80627639
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1CCCS1
InChIInChI=1S/C12H19NOS/c1-2-6-13-12(10-5-7-14-9-10)11-4-3-8-15-11/h5,7,9,11-13H,2-4,6,8H2,1H3
InChIKeyKDYAJJCSLUFPGN-UHFFFAOYSA-N
XLogP3.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,4-dithian-2-yl(furan-3-yl)methyl]propan-1-amine
CID 79965561
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 103346481
N-[(4-tert-butylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626646
N-[(3,5-dimethylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80626640
N-[(2-methylpyrazol-3-yl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627643
N-[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627878
N-[(4-ethoxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627828
N-[thian-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626465
N-[thiolan-2-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626433
N-[naphthalen-1-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627227
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
CID 115855420
N-[2,3-dihydro-1-benzofuran-5-yl(thian-2-yl)methyl]propan-1-amine
CID 104542771

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine (CID 80627639) is N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)C1CCCS1.
What is the InChIKey of N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine?
The InChIKey is KDYAJJCSLUFPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-6-13-12(10-5-7-14-9-10)11-4-3-8-15-11/h5,7,9,11-13H,2-4,6,8H2,1H3.
What are the key properties of N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine?
N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80627639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).