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

C14H20N2OS — CID 25150535

IUPACcis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC=CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
InChIKeyVXBRIAOTINONRK-FZMZJTMJSA-N
MW264.39 g/mol
LogP2.00
Rot. Bonds6

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

cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 25150535) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID25150535
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC=CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
InChIKeyVXBRIAOTINONRK-FZMZJTMJSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 25150535) is cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-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-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is VXBRIAOTINONRK-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h3,5-6,8,11H,1,4,7,9-10,15H2,2H3/t11-,14-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-(aminomethyl)-N-ethyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.00, 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-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 25150535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).