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

C15H20N2OS — CID 25150624

IUPACcis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC=CCN(C(=O)[C@@]1(c2cccs2)C[C@H]1CN)C1CC1
InChIInChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1
InChIKeyOZOIMHBDGJFSOJ-NHYWBVRUSA-N
MW276.40 g/mol
LogP2.14
Rot. Bonds6

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

cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 25150624) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID25150624
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC=CCN(C(=O)[C@@]1(c2cccs2)C[C@H]1CN)C1CC1
InChIInChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1
InChIKeyOZOIMHBDGJFSOJ-NHYWBVRUSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.14
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-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 25150624) is cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide is C=CCN(C(=O)[C@@]1(c2cccs2)C[C@H]1CN)C1CC1.
What is the InChIKey of cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is OZOIMHBDGJFSOJ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-7-17(12-5-6-12)14(18)15(9-11(15)10-16)13-4-3-8-19-13/h2-4,8,11-12H,1,5-7,9-10,16H2/t11-,15-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-(aminomethyl)-N-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.14, 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-cyclopropyl-N-prop-2-enyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 25150624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).