2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol

C14H17NO2S — CID 110888252

IUPAC2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol
SMILESOC(CNC(c1cccs1)C1CC1)c1ccco1
InChIInChI=1S/C14H17NO2S/c16-11(12-3-1-7-17-12)9-15-14(10-5-6-10)13-4-2-8-18-13/h1-4,7-8,10-11,14-16H,5-6,9H2
InChIKeyZLTDJSROSXFZJX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.12
Rot. Bonds6

About 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol

2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol (PubChem CID 110888252) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol
PubChem CID110888252
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol
SMILESOC(CNC(c1cccs1)C1CC1)c1ccco1
InChIInChI=1S/C14H17NO2S/c16-11(12-3-1-7-17-12)9-15-14(10-5-6-10)13-4-2-8-18-13/h1-4,7-8,10-11,14-16H,5-6,9H2
InChIKeyZLTDJSROSXFZJX-UHFFFAOYSA-N
XLogP3.12
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
2-[[(1R)-1-cyclohexylethyl]amino]-1-(furan-2-yl)ethanol
CID 81384880
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
(S)-cyclopropyl(furan-2-yl)methanol
CID 39235067
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol (CID 110888252) is 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol is OC(CNC(c1cccs1)C1CC1)c1ccco1.
What is the InChIKey of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is ZLTDJSROSXFZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-11(12-3-1-7-17-12)9-15-14(10-5-6-10)13-4-2-8-18-13/h1-4,7-8,10-11,14-16H,5-6,9H2.
What are the key properties of 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol?
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 263.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 110888252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).