2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol

C14H18ClNO3S — CID 107865040

IUPAC2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNO3S/c1-2-14(8-17,9-18)16-13(10-4-3-7-19-10)11-5-6-12(15)20-11/h3-7,13,16-18H,2,8-9H2,1H3
InChIKeyAVELCXLGLGSTHX-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.81
Rot. Bonds7

About 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol

2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol (PubChem CID 107865040) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol
PubChem CID107865040
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClNO3S/c1-2-14(8-17,9-18)16-13(10-4-3-7-19-10)11-5-6-12(15)20-11/h3-7,13,16-18H,2,8-9H2,1H3
InChIKeyAVELCXLGLGSTHX-UHFFFAOYSA-N
XLogP2.81
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-ethylaniline
CID 43764328
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]heptan-2-amine
CID 43778058
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pent-1-yn-3-amine
CID 114160682
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-cyclopentylethanamine
CID 63450559
[2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]cyclohexyl]methanol
CID 106359817

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol (CID 107865040) is 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol?
The InChIKey is AVELCXLGLGSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-2-14(8-17,9-18)16-13(10-4-3-7-19-10)11-5-6-12(15)20-11/h3-7,13,16-18H,2,8-9H2,1H3.
What are the key properties of 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol?
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol has a molecular weight of 315.82 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107865040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).