cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

C14H19FN2OS — CID 25150711

IUPACcis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC=C(F)CN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
InChIKeyMGQRODBGBVCRHA-FZMZJTMJSA-N
MW282.38 g/mol
LogP2.30
Rot. Bonds6

About cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 25150711) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID25150711
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC=C(F)CN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
InChIKeyMGQRODBGBVCRHA-FZMZJTMJSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 25150711) is cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is C=C(F)CN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN.
What is the InChIKey of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is MGQRODBGBVCRHA-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-(2-fluoroprop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 25150711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).