N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C16H22N2OS — CID 131899293

IUPACN-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESC=CCN(Cc1ccsc1)C(=O)C1CC12CCNCC2
InChIInChI=1S/C16H22N2OS/c1-2-8-18(11-13-3-9-20-12-13)15(19)14-10-16(14)4-6-17-7-5-16/h2-3,9,12,14,17H,1,4-8,10-11H2
InChIKeyDFPHHKKFMLABAJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.65
Rot. Bonds5

About N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 131899293) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID131899293
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESC=CCN(Cc1ccsc1)C(=O)C1CC12CCNCC2
InChIInChI=1S/C16H22N2OS/c1-2-8-18(11-13-3-9-20-12-13)15(19)14-10-16(14)4-6-17-7-5-16/h2-3,9,12,14,17H,1,4-8,10-11H2
InChIKeyDFPHHKKFMLABAJ-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.65
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 N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 131899293) is N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is C=CCN(Cc1ccsc1)C(=O)C1CC12CCNCC2.
What is the InChIKey of N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DFPHHKKFMLABAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-8-18(11-13-3-9-20-12-13)15(19)14-10-16(14)4-6-17-7-5-16/h2-3,9,12,14,17H,1,4-8,10-11H2.
What are the key properties of N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 131899293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).