2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol

C10H15NOS — CID 103073397

IUPAC2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)Cc1ccoc1
InChIInChI=1S/C10H15NOS/c1-9(8-13)5-11(2)6-10-3-4-12-7-10/h3-4,7,13H,1,5-6,8H2,2H3
InChIKeyVFIBKGMAJSTWNA-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.20
Rot. Bonds5

About 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol

2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol (PubChem CID 103073397) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
PubChem CID103073397
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN(C)Cc1ccoc1
InChIInChI=1S/C10H15NOS/c1-9(8-13)5-11(2)6-10-3-4-12-7-10/h3-4,7,13H,1,5-6,8H2,2H3
InChIKeyVFIBKGMAJSTWNA-UHFFFAOYSA-N
XLogP2.20
TPSA16.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069682
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749
1-cyclohexyl-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 104750523
[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
CID 54970779
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
N-(furan-3-ylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66224056
1-(4-ethoxyphenyl)-2-[furan-3-ylmethyl(methyl)amino]ethanone
CID 62034992
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol (CID 103073397) is 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol is C=C(CS)CN(C)Cc1ccoc1.
What is the InChIKey of 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
The InChIKey is VFIBKGMAJSTWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-9(8-13)5-11(2)6-10-3-4-12-7-10/h3-4,7,13H,1,5-6,8H2,2H3.
What are the key properties of 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol?
2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol has a molecular weight of 197.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).