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

C15H16N2OS — CID 25150628

IUPACcis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC#CCN(CC#C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
InChIKeyDDNDQTODRFYZEU-WFASDCNBSA-N
MW272.37 g/mol
LogP1.06
Rot. Bonds5

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

cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 25150628) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID25150628
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Namecis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESC#CCN(CC#C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN
InChIInChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1
InChIKeyDDNDQTODRFYZEU-WFASDCNBSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.06
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,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 25150628) is cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is C#CCN(CC#C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN.
What is the InChIKey of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is DDNDQTODRFYZEU-WFASDCNBSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h1-2,5-6,9,12H,7-8,10-11,16H2/t12-,15-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.06, 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,N-bis(prop-2-ynyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 25150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).