4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol

C12H19NO2S — CID 115722103

IUPAC4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol
SMILESCC(NCC1(O)CCSCC1)c1ccco1
InChIInChI=1S/C12H19NO2S/c1-10(11-3-2-6-15-11)13-9-12(14)4-7-16-8-5-12/h2-3,6,10,13-14H,4-5,7-9H2,1H3
InChIKeyPHHMEMUEFIAKRK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.19
Rot. Bonds4

About 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol

4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol (PubChem CID 115722103) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol
PubChem CID115722103
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol
SMILESCC(NCC1(O)CCSCC1)c1ccco1
InChIInChI=1S/C12H19NO2S/c1-10(11-3-2-6-15-11)13-9-12(14)4-7-16-8-5-12/h2-3,6,10,13-14H,4-5,7-9H2,1H3
InChIKeyPHHMEMUEFIAKRK-UHFFFAOYSA-N
XLogP2.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(furan-2-yl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 43201850
N-[(1-cyclopropylcyclopropyl)methyl]-1-(furan-2-yl)ethanamine
CID 115895715
1-(furan-2-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
CID 115893829
1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115344
4-[[1-(3-nitrophenyl)ethylamino]methyl]thian-4-ol
CID 111521950
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 81400423
4-[[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]methyl]thian-4-ol
CID 110010696
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94028637
1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol?
The IUPAC name of 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol (CID 115722103) is 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol?
The canonical SMILES for 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol is CC(NCC1(O)CCSCC1)c1ccco1.
What is the InChIKey of 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol?
The InChIKey is PHHMEMUEFIAKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(11-3-2-6-15-11)13-9-12(14)4-7-16-8-5-12/h2-3,6,10,13-14H,4-5,7-9H2,1H3.
What are the key properties of 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol?
4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol has a molecular weight of 241.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-yl)ethylamino]methyl]thian-4-ol is sourced from PubChem (CID 115722103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).