(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C15H20N2OS — CID 7276310

IUPAC(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]12C)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-10(12-7-5-9-19-12)16-17-14(18)13-11-6-3-4-8-15(11,13)2/h5,7,9,11,13H,3-4,6,8H2,1-2H3,(H,17,18)/b16-10-/t11-,13-,15-/m0/s1
InChIKeyVZCUVFYTBJAADC-FANIIUDCSA-N
MW276.40 g/mol
LogP3.41
Rot. Bonds3

About (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 7276310) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID7276310
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]12C)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-10(12-7-5-9-19-12)16-17-14(18)13-11-6-3-4-8-15(11,13)2/h5,7,9,11,13H,3-4,6,8H2,1-2H3,(H,17,18)/b16-10-/t11-,13-,15-/m0/s1
InChIKeyVZCUVFYTBJAADC-FANIIUDCSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,6R,7S)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98093244
(1S,6R,7R)-1-methyl-N-[(Z)-1-phenylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98068928
(1S,6R,7S)-1-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98055848
(1S,6R,7R)-1-methyl-N-[(E)-thiophen-2-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 7456517
(1S,6R,7S)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98084880
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
(1S,6R,7R)-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 136829066
N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
CID 9352223
(1S,6R,7R)-N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98068940
2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
CID 6370476
(1S,6S,7S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 136664067
(1S,6S,7R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 137027687

Frequently Asked Questions

What is the IUPAC name of (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 7276310) is (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is C/C(=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]12C)c1cccs1.
What is the InChIKey of (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is VZCUVFYTBJAADC-FANIIUDCSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(12-7-5-9-19-12)16-17-14(18)13-11-6-3-4-8-15(11,13)2/h5,7,9,11,13H,3-4,6,8H2,1-2H3,(H,17,18)/b16-10-/t11-,13-,15-/m0/s1.
What are the key properties of (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7R)-1-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 7276310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).