cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride

C15H21ClN2OS — CID 25150622

IUPACcis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13;/h3-6,9,12H,1-2,7-8,10-11,16H2;1H/t12-,15-;/m0./s1
InChIKeyYYNZGHMEIIMHLJ-NXCSSKFKSA-N
MW312.87 g/mol
LogP2.59
Rot. Bonds7

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

cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 25150622) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID25150622
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN.Cl
InChIInChI=1S/C15H20N2OS.ClH/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13;/h3-6,9,12H,1-2,7-8,10-11,16H2;1H/t12-,15-;/m0./s1
InChIKeyYYNZGHMEIIMHLJ-NXCSSKFKSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride (CID 25150622) is cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride is C=CCN(CC=C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN.Cl.
What is the InChIKey of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is YYNZGHMEIIMHLJ-NXCSSKFKSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13;/h3-6,9,12H,1-2,7-8,10-11,16H2;1H/t12-,15-;/m0./s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride?
cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 2.59, 7 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,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 25150622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).