cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide

C14H18N2OS — CID 25150627

IUPACcis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC#CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
InChIKeyDBDIPFBJGDKNIO-FZMZJTMJSA-N
MW262.38 g/mol
LogP1.45
Rot. Bonds5

About cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide

cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 25150627) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID25150627
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC#CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
InChIKeyDBDIPFBJGDKNIO-FZMZJTMJSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 25150627) is cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide is C#CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN.
What is the InChIKey of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is DBDIPFBJGDKNIO-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 1.45, 5 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-prop-2-ynyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 25150627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).